4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one

C14H22O — CID 550361

IUPAC4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one
SMILESCC(C)=CCCC(C)C1C=CC(=O)CC1
InChIInChI=1S/C14H22O/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h5,7,9,12-13H,4,6,8,10H2,1-3H3
InChIKeyCIIUTVUZULBJKL-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.90
Rot. Bonds4

About 4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one

4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one (PubChem CID 550361) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one
PubChem CID550361
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one
SMILESCC(C)=CCCC(C)C1C=CC(=O)CC1
InChIInChI=1S/C14H22O/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h5,7,9,12-13H,4,6,8,10H2,1-3H3
InChIKeyCIIUTVUZULBJKL-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Carvone, (+)-
CID 16724
Carvone, (+-)-
CID 7439
(+)-Nootkatone
CID 1268142
Carvone, (-)-
CID 439570
beta-DAMASCONE
CID 5374527
Allyl-alpha-ionone
CID 5365976
(+-)-Piperitone
CID 6987
Piperitone, L-
CID 107561
4-Isopropyl-2-cyclohexenone
CID 92780
Tetrahydro-pseudo-ionone
CID 102604
alpha-Damascone
CID 520506
3-Methyl-5-propylcyclohex-2-en-1-one
CID 3782139

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one (CID 550361) is 4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one is CC(C)=CCCC(C)C1C=CC(=O)CC1.
What is the InChIKey of 4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one?
The InChIKey is CIIUTVUZULBJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h5,7,9,12-13H,4,6,8,10H2,1-3H3.
What are the key properties of 4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one?
4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one has a molecular weight of 206.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 550361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).