7-(hydroxymethyl)-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-3-carbaldehyde

HCID 28832

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Basic information

CAS: 17904-23-3
Standard SMILES: CC1(C=O)CCC2C(C)(CCC3C(C)(CO)CCCC32C)O1
InChIKey: NSZDQEHQKYPHIG-UHFFFAOYSA-N
Molecular formula: C19H32O3
Average molar mass: 308.5 g/mol
Monoisotopic mass: 308.23514488

Names & identifiers

Preferred name: 7-(hydroxymethyl)-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-3-carbaldehyde
IUPAC: 7-(hydroxymethyl)-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-3-carbaldehyde

Names & synonyms

17904-23-37-(hydroxymethyl)-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-3-carbaldehydeDTXSID70939171AKOS040752211T323267-(Hydroxymethyl)-3,4a,7,10a-tetramethyldodecahydro-1H-naphtho[2,1-b]pyran-3-carbaldehyde

Database identifiers

CAS: 17904-23-3
PubChem CID: 28832
DTXSID: DTXSID70939171

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 464

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