1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone

C14H22O — CID 24975299

IUPAC1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone
SMILESCCCC/C=C/C1=C(C(C)=O)CCCC1
InChIInChI=1S/C14H22O/c1-3-4-5-6-9-13-10-7-8-11-14(13)12(2)15/h6,9H,3-5,7-8,10-11H2,1-2H3/b9-6+
InChIKeyHKYPQSBBYMCFBT-RMKNXTFCSA-N
MW206.33 g/mol
LogP4.19
Rot. Bonds5

About 1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone

1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone (PubChem CID 24975299) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone
PubChem CID24975299
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone
SMILESCCCC/C=C/C1=C(C(C)=O)CCCC1
InChIInChI=1S/C14H22O/c1-3-4-5-6-9-13-10-7-8-11-14(13)12(2)15/h6,9H,3-5,7-8,10-11H2,1-2H3/b9-6+
InChIKeyHKYPQSBBYMCFBT-RMKNXTFCSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis[(E)-hex-1-enyl] cyclohexene-1,2-dicarboxylate
CID 101305786
1-[3-[(E)-hex-1-enyl]phenyl]ethanone
CID 10512317
1-(2-butyltellanylcyclopenten-1-yl)ethanone
CID 100948379
cyclopentane;(E)-hept-2-enoic acid
CID 66887361
methyl 2,2-dihydroxy-4,6-dimethyl-7-[2-[(E)-oct-1-enyl]cyclopenten-1-yl]hepta-4,5-dienoate
CID 88846015
dec-5-en-2-one
CID 71363330
methane;oct-3-en-2-one
CID 175702789
2,2-dihydroxy-7-(2-oct-1-enylcyclopenten-1-yl)hepta-4,5-dienoic acid
CID 54301011
1-[3,5-bis[(E)-hex-1-enyl]phenyl]propan-2-one
CID 130263619
3-[(E)-hex-1-enyl]cyclopent-2-en-1-one
CID 22395801
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
dodec-7-en-2-one
CID 123882998

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone?
The IUPAC name of 1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone (CID 24975299) is 1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone.
What is the SMILES notation for 1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone?
The canonical SMILES for 1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone is CCCC/C=C/C1=C(C(C)=O)CCCC1.
What is the InChIKey of 1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone?
The InChIKey is HKYPQSBBYMCFBT-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H22O/c1-3-4-5-6-9-13-10-7-8-11-14(13)12(2)15/h6,9H,3-5,7-8,10-11H2,1-2H3/b9-6+.
What are the key properties of 1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone?
1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone has a molecular weight of 206.33 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone is sourced from PubChem (CID 24975299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).