4-cyclohexylhept-6-enal

C13H22O — CID 101297899

IUPAC4-cyclohexylhept-6-enal
SMILESC=CCC(CCC=O)C1CCCCC1
InChIInChI=1S/C13H22O/c1-2-7-12(10-6-11-14)13-8-4-3-5-9-13/h2,11-13H,1,3-10H2
InChIKeyMJZWCRYFWPFVQB-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.74
Rot. Bonds6

About 4-cyclohexylhept-6-enal

4-cyclohexylhept-6-enal (PubChem CID 101297899) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-cyclohexylhept-6-enal.

Molecular Properties

Compound Name4-cyclohexylhept-6-enal
PubChem CID101297899
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4-cyclohexylhept-6-enal
SMILESC=CCC(CCC=O)C1CCCCC1
InChIInChI=1S/C13H22O/c1-2-7-12(10-6-11-14)13-8-4-3-5-9-13/h2,11-13H,1,3-10H2
InChIKeyMJZWCRYFWPFVQB-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.74
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

2-cyclohexylpent-4-en-1-ol
CID 77257118
1-bromopent-4-en-2-ylcyclopentane
CID 131225659
2-cyclohexylhex-5-en-1-amine
CID 66694648
2-cyclohexyl-N-methylpent-4-en-1-amine
CID 77230357
1-cyclooctylbut-3-en-1-amine
CID 80604015
[(2E,8Z)-deca-2,8-dien-5-yl]cyclopentane
CID 163934301
[(3S)-hex-5-en-1-yn-3-yl]cyclohexane
CID 102433430
[(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane
CID 100966370
undeca-1,10-dien-3-ylcyclohexane
CID 54538592
1-cycloheptylhex-5-en-1-ol
CID 65399153
1-cyclohexylpent-4-en-2-ol
CID 13166988
1-cyclohexylbut-3-enyl acetate
CID 11481011

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylhept-6-enal?
The IUPAC name of 4-cyclohexylhept-6-enal (CID 101297899) is 4-cyclohexylhept-6-enal.
What is the SMILES notation for 4-cyclohexylhept-6-enal?
The canonical SMILES for 4-cyclohexylhept-6-enal is C=CCC(CCC=O)C1CCCCC1.
What is the InChIKey of 4-cyclohexylhept-6-enal?
The InChIKey is MJZWCRYFWPFVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-7-12(10-6-11-14)13-8-4-3-5-9-13/h2,11-13H,1,3-10H2.
What are the key properties of 4-cyclohexylhept-6-enal?
4-cyclohexylhept-6-enal has a molecular weight of 194.32 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylhept-6-enal is sourced from PubChem (CID 101297899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).