2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde

C13H18O — CID 102254884

IUPAC2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde
SMILESO=CC1=C(C=C2CCCC2)CCCC1
InChIInChI=1S/C13H18O/c14-10-13-8-4-3-7-12(13)9-11-5-1-2-6-11/h9-10H,1-8H2
InChIKeyRZHIFOVLEJVIIF-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.56
Rot. Bonds2

About 2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde

2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde (PubChem CID 102254884) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde
PubChem CID102254884
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde
SMILESO=CC1=C(C=C2CCCC2)CCCC1
InChIInChI=1S/C13H18O/c14-10-13-8-4-3-7-12(13)9-11-5-1-2-6-11/h9-10H,1-8H2
InChIKeyRZHIFOVLEJVIIF-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.56
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-trimethylstannylcyclopentene-1-carbaldehyde
CID 15370367
2-methoxycycloheptene-1-carbaldehyde
CID 14143561
CID 171395654
CID 171395654
2-(2-phenylethynyl)cyclohexene-1-carbaldehyde
CID 13205236
2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde
CID 141417454
(1E)-2-azidocyclohexadecene-1-carbaldehyde
CID 102182255
4-(2-formylcyclohepten-1-yl)benzonitrile
CID 71817020
2-(3-oxobutan-2-yl)cycloheptene-1-carbaldehyde
CID 12764656
2-diphenylphosphorylcyclohexene-1-carbaldehyde
CID 16767563
1,2-bis[(Z)-prop-1-enyl]cyclohexene;ethane
CID 144583134
(3E)-3-(hydroxymethylidene)-2-methylcyclohexene-1-carbaldehyde
CID 58606979
3,5,6,7-tetrahydro-2H-indene-4-carbaldehyde
CID 174827968

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde?
The IUPAC name of 2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde (CID 102254884) is 2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde.
What is the SMILES notation for 2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde?
The canonical SMILES for 2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde is O=CC1=C(C=C2CCCC2)CCCC1.
What is the InChIKey of 2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde?
The InChIKey is RZHIFOVLEJVIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c14-10-13-8-4-3-7-12(13)9-11-5-1-2-6-11/h9-10H,1-8H2.
What are the key properties of 2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde?
2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde has a molecular weight of 190.29 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde is sourced from PubChem (CID 102254884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).