(4Z)-4,6-dimethylcyclooct-4-en-1-one

C10H16O — CID 14063354

IUPAC(4Z)-4,6-dimethylcyclooct-4-en-1-one
SMILESC/C1=C/C(C)CCC(=O)CC1
InChIInChI=1S/C10H16O/c1-8-3-5-10(11)6-4-9(2)7-8/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeyMZEKGIJRNLSVID-CLFYSBASSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds

About (4Z)-4,6-dimethylcyclooct-4-en-1-one

(4Z)-4,6-dimethylcyclooct-4-en-1-one (PubChem CID 14063354) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (4Z)-4,6-dimethylcyclooct-4-en-1-one.

Molecular Properties

Compound Name(4Z)-4,6-dimethylcyclooct-4-en-1-one
PubChem CID14063354
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(4Z)-4,6-dimethylcyclooct-4-en-1-one
SMILESC/C1=C/C(C)CCC(=O)CC1
InChIInChI=1S/C10H16O/c1-8-3-5-10(11)6-4-9(2)7-8/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeyMZEKGIJRNLSVID-CLFYSBASSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
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

(3S)-1,3-dimethylcyclobutene
CID 58737300
4,6-dimethylcyclooctan-1-one
CID 130038288
6-methyl-4-phenylcyclodec-5-en-1-one
CID 91670765
1-fluoro-6-methylpiperidin-3-one
CID 174899087
3-methylcyclopenten-1-olate
CID 101379344
5-ethyl-1,3-dimethylcycloheptene
CID 143264221
2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one
CID 86257426
3-methylcyclopentene-1-carboxylic acid
CID 12779737
(4E,6S,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
CID 45100507
1,3-dimethyl-4-(trifluoromethyl)cyclohexene
CID 162565648
5-fluoro-1,3,4-trimethylcycloheptene
CID 146579921
4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one
CID 83261660

Frequently Asked Questions

What is the IUPAC name of (4Z)-4,6-dimethylcyclooct-4-en-1-one?
The IUPAC name of (4Z)-4,6-dimethylcyclooct-4-en-1-one (CID 14063354) is (4Z)-4,6-dimethylcyclooct-4-en-1-one.
What is the SMILES notation for (4Z)-4,6-dimethylcyclooct-4-en-1-one?
The canonical SMILES for (4Z)-4,6-dimethylcyclooct-4-en-1-one is C/C1=C/C(C)CCC(=O)CC1.
What is the InChIKey of (4Z)-4,6-dimethylcyclooct-4-en-1-one?
The InChIKey is MZEKGIJRNLSVID-CLFYSBASSA-N. The full InChI is InChI=1S/C10H16O/c1-8-3-5-10(11)6-4-9(2)7-8/h7-8H,3-6H2,1-2H3/b9-7-.
What are the key properties of (4Z)-4,6-dimethylcyclooct-4-en-1-one?
(4Z)-4,6-dimethylcyclooct-4-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4,6-dimethylcyclooct-4-en-1-one is sourced from PubChem (CID 14063354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).