4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde

C12H22O — CID 130647227

IUPAC4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde
SMILESCCC1CCC(C=O)(C(C)C)CC1
InChIInChI=1S/C12H22O/c1-4-11-5-7-12(9-13,8-6-11)10(2)3/h9-11H,4-8H2,1-3H3
InChIKeyGPOXOMIZVHWBAG-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.43
Rot. Bonds3

About 4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde

4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde (PubChem CID 130647227) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde
PubChem CID130647227
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde
SMILESCCC1CCC(C=O)(C(C)C)CC1
InChIInChI=1S/C12H22O/c1-4-11-5-7-12(9-13,8-6-11)10(2)3/h9-11H,4-8H2,1-3H3
InChIKeyGPOXOMIZVHWBAG-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.43
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

3-ethyl-1-methyl-1-propan-2-ylcyclopentane
CID 91433980
4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane
CID 22750752
4-ethyl-1-propan-2-ylcycloheptan-1-ol
CID 65085832
8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde
CID 130584550
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
1,3-diethylcyclopentane-1-carbaldehyde
CID 126998053
1-(3-methylpentan-2-yl)cyclopropane-1-carbaldehyde
CID 131226445
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
(3-ethyl-1-propan-2-ylcyclopentyl)methanamine
CID 130515064
4-ethyl-1-(2-methylbutyl)cyclohexan-1-ol
CID 65147481
2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
CID 66096041
4-ethyl-1,1-bis(prop-2-enyl)cyclohexane
CID 163799692

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde?
The IUPAC name of 4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde (CID 130647227) is 4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde?
The canonical SMILES for 4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde is CCC1CCC(C=O)(C(C)C)CC1.
What is the InChIKey of 4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde?
The InChIKey is GPOXOMIZVHWBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-11-5-7-12(9-13,8-6-11)10(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde?
4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde has a molecular weight of 182.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 130647227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).