1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone

C14H22O — CID 3016011

IUPAC1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone
SMILESCC(=O)C1CC=C(CCC=C(C)C)CC1
InChIInChI=1S/C14H22O/c1-11(2)5-4-6-13-7-9-14(10-8-13)12(3)15/h5,7,14H,4,6,8-10H2,1-3H3
InChIKeyOPMMVURHZYBANA-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.05
Rot. Bonds4

About 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone

1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone (PubChem CID 3016011) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone
PubChem CID3016011
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone
SMILESCC(=O)C1CC=C(CCC=C(C)C)CC1
InChIInChI=1S/C14H22O/c1-11(2)5-4-6-13-7-9-14(10-8-13)12(3)15/h5,7,14H,4,6,8-10H2,1-3H3
InChIKeyOPMMVURHZYBANA-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone (CID 3016011) is 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone is CC(=O)C1CC=C(CCC=C(C)C)CC1.
What is the InChIKey of 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone?
The InChIKey is OPMMVURHZYBANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)5-4-6-13-7-9-14(10-8-13)12(3)15/h5,7,14H,4,6,8-10H2,1-3H3.
What are the key properties of 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone?
1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone has a molecular weight of 206.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone is sourced from PubChem (CID 3016011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).