8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde

C12H20O — CID 130035655

IUPAC8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde
SMILESCC12CCCCC1CCCC2C=O
InChIInChI=1S/C12H20O/c1-12-8-3-2-5-10(12)6-4-7-11(12)9-13/h9-11H,2-8H2,1H3
InChIKeyMUFFOBMWTKPNDQ-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.18
Rot. Bonds1

About 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde

8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde (PubChem CID 130035655) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde
PubChem CID130035655
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde
SMILESCC12CCCCC1CCCC2C=O
InChIInChI=1S/C12H20O/c1-12-8-3-2-5-10(12)6-4-7-11(12)9-13/h9-11H,2-8H2,1H3
InChIKeyMUFFOBMWTKPNDQ-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylcycloheptane-1-carbaldehyde
CID 138734461
2,2-diethylcyclododecane-1-carbaldehyde
CID 138734451
2-cycloheptyl-2-methylcycloheptan-1-amine
CID 160840107
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylic acid
CID 154722372
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914
(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
CID 142069043
(5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde
CID 168911046
2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane
CID 142091721
7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane
CID 171514163
(1-methylcyclopentyl)cyclohexane
CID 13217819
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
1-cyclohexylcyclohexane-1-carbaldehyde
CID 21479214

Frequently Asked Questions

What is the IUPAC name of 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde?
The IUPAC name of 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde (CID 130035655) is 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde.
What is the SMILES notation for 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde?
The canonical SMILES for 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde is CC12CCCCC1CCCC2C=O.
What is the InChIKey of 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde?
The InChIKey is MUFFOBMWTKPNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-12-8-3-2-5-10(12)6-4-7-11(12)9-13/h9-11H,2-8H2,1H3.
What are the key properties of 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde?
8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde has a molecular weight of 180.29 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 130035655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).