2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde

C14H24O2 — CID 72665298

IUPAC2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde
SMILESCC1CCC2(O)CCCCC2C1(C)CC=O
InChIInChI=1S/C14H24O2/c1-11-6-8-14(16)7-4-3-5-12(14)13(11,2)9-10-15/h10-12,16H,3-9H2,1-2H3
InChIKeyWGWPXQNXGOVHSJ-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.93
Rot. Bonds2

About 2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde

2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde (PubChem CID 72665298) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde
PubChem CID72665298
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde
SMILESCC1CCC2(O)CCCCC2C1(C)CC=O
InChIInChI=1S/C14H24O2/c1-11-6-8-14(16)7-4-3-5-12(14)13(11,2)9-10-15/h10-12,16H,3-9H2,1-2H3
InChIKeyWGWPXQNXGOVHSJ-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-Butanone, 4-(octahydro-5,5,8a-trimethylspiro[naphthalene-2(1H),2'-oxiran]-1-yl)-
CID 6451616
Diaporol D
CID 15098673
Diaporol B
CID 71453063
(4R,4aS,7R,8aS)-7-hydroxy-4a,8,8-trimethyl-4-(4-methyl-3-oxopentyl)-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one
CID 122182594
Eutyscoparin E
CID 164611525
Uvidin D
CID 101293625
(3S)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanal
CID 46837459
(4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-3,4a,5,6,7,8-hexahydro-1H-naphthalen-2-one
CID 102090423
Eutyperemophilane E
CID 156581653
Eutyperemophilane G
CID 156581655
Eutyperemophilane H
CID 156581656
Eutyperemophilane S
CID 156581667

Frequently Asked Questions

What is the IUPAC name of 2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde?
The IUPAC name of 2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde (CID 72665298) is 2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde?
The canonical SMILES for 2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde is CC1CCC2(O)CCCCC2C1(C)CC=O.
What is the InChIKey of 2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde?
The InChIKey is WGWPXQNXGOVHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-6-8-14(16)7-4-3-5-12(14)13(11,2)9-10-15/h10-12,16H,3-9H2,1-2H3.
What are the key properties of 2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde?
2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde has a molecular weight of 224.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a-hydroxy-1,2-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde is sourced from PubChem (CID 72665298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).