(E)-2-(2-cyclohexylethyl)pent-3-enal

C13H22O — CID 101297894

IUPAC(E)-2-(2-cyclohexylethyl)pent-3-enal
SMILESC/C=C/C(C=O)CCC1CCCCC1
InChIInChI=1S/C13H22O/c1-2-6-13(11-14)10-9-12-7-4-3-5-8-12/h2,6,11-13H,3-5,7-10H2,1H3/b6-2+
InChIKeyQHZJGTRIKUKCDS-QHHAFSJGSA-N
MW194.32 g/mol
LogP3.74
Rot. Bonds5

About (E)-2-(2-cyclohexylethyl)pent-3-enal

(E)-2-(2-cyclohexylethyl)pent-3-enal (PubChem CID 101297894) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (E)-2-(2-cyclohexylethyl)pent-3-enal.

Molecular Properties

Compound Name(E)-2-(2-cyclohexylethyl)pent-3-enal
PubChem CID101297894
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(E)-2-(2-cyclohexylethyl)pent-3-enal
SMILESC/C=C/C(C=O)CCC1CCCCC1
InChIInChI=1S/C13H22O/c1-2-6-13(11-14)10-9-12-7-4-3-5-8-12/h2,6,11-13H,3-5,7-10H2,1H3/b6-2+
InChIKeyQHZJGTRIKUKCDS-QHHAFSJGSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

[(Z)-4-methylhept-5-enyl]cyclopentane
CID 143369090
1,5-dicyclohexylpentan-3-ol
CID 56981010
3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
4-cyclohexylbutane-2-sulfonic acid
CID 88555201
[4-methylsulfanyl-3-(methylsulfanylmethyl)butyl]cyclohexane
CID 23432666
4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol
CID 57068108
1-cyclohexylhexan-3-amine
CID 43370456
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
3,3-dimethoxypropylcyclopentane
CID 58449962
[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane
CID 71438405
4-cyclohexyl-2-cyclopentyl-N-ethylbutan-1-amine
CID 114192566

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-cyclohexylethyl)pent-3-enal?
The IUPAC name of (E)-2-(2-cyclohexylethyl)pent-3-enal (CID 101297894) is (E)-2-(2-cyclohexylethyl)pent-3-enal.
What is the SMILES notation for (E)-2-(2-cyclohexylethyl)pent-3-enal?
The canonical SMILES for (E)-2-(2-cyclohexylethyl)pent-3-enal is C/C=C/C(C=O)CCC1CCCCC1.
What is the InChIKey of (E)-2-(2-cyclohexylethyl)pent-3-enal?
The InChIKey is QHZJGTRIKUKCDS-QHHAFSJGSA-N. The full InChI is InChI=1S/C13H22O/c1-2-6-13(11-14)10-9-12-7-4-3-5-8-12/h2,6,11-13H,3-5,7-10H2,1H3/b6-2+.
What are the key properties of (E)-2-(2-cyclohexylethyl)pent-3-enal?
(E)-2-(2-cyclohexylethyl)pent-3-enal has a molecular weight of 194.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-cyclohexylethyl)pent-3-enal is sourced from PubChem (CID 101297894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).