3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde

C11H18O — CID 101489357

IUPAC3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde
SMILESCC1=CCC(C(C)C)C(C=O)C1
InChIInChI=1S/C11H18O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h4,7-8,10-11H,5-6H2,1-3H3
InChIKeyRTPGBPOUECVJJK-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.81
Rot. Bonds2

About 3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde

3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde (PubChem CID 101489357) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde
PubChem CID101489357
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde
SMILESCC1=CCC(C(C)C)C(C=O)C1
InChIInChI=1S/C11H18O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h4,7-8,10-11H,5-6H2,1-3H3
InChIKeyRTPGBPOUECVJJK-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane
CID 159750866
(1R,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
CID 163030211
cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde
CID 124564061
2-methyl-6-propan-2-ylcyclohex-2-ene-1-carbaldehyde
CID 174873778
ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol
CID 155691909
1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene
CID 91022928
(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene
CID 160741124
(2S)-2-[3,5-dihydroxy-4-[(1R,6S)-3-methyl-6-propan-2-ylcyclohex-3-en-1-yl]phenyl]propanoic acid
CID 121291455
4-hydroxy-7-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1-carbaldehyde
CID 163067243
2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one
CID 73047399
(1R,2R,6R)-3-methyl-2-(2-methylpent-4-enyl)-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde
CID 59987661
(1R,5R,6R)-3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
CID 76966126

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde (CID 101489357) is 3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde is CC1=CCC(C(C)C)C(C=O)C1.
What is the InChIKey of 3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde?
The InChIKey is RTPGBPOUECVJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h4,7-8,10-11H,5-6H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde?
3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde has a molecular weight of 166.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 101489357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).