4,4-dicyclopropylcyclohex-2-en-1-one

C12H16O — CID 130029054

IUPAC4,4-dicyclopropylcyclohex-2-en-1-one
SMILESO=C1C=CC(C2CC2)(C2CC2)CC1
InChIInChI=1S/C12H16O/c13-11-5-7-12(8-6-11,9-1-2-9)10-3-4-10/h5,7,9-10H,1-4,6,8H2
InChIKeyQSENRDAQMZMZJQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.71
Rot. Bonds2

About 4,4-dicyclopropylcyclohex-2-en-1-one

4,4-dicyclopropylcyclohex-2-en-1-one (PubChem CID 130029054) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4,4-dicyclopropylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dicyclopropylcyclohex-2-en-1-one
PubChem CID130029054
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4,4-dicyclopropylcyclohex-2-en-1-one
SMILESO=C1C=CC(C2CC2)(C2CC2)CC1
InChIInChI=1S/C12H16O/c13-11-5-7-12(8-6-11,9-1-2-9)10-3-4-10/h5,7,9-10H,1-4,6,8H2
InChIKeyQSENRDAQMZMZJQ-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one
CID 14068876
4,4-dimethoxycyclohex-2-en-1-one
CID 134922373
4-methyl-4-propan-2-ylcyclohex-2-en-1-one
CID 71303376
4,4-dibutylcyclohex-2-en-1-one
CID 14836303
(4aS,8aS)-4a-methyl-3,4,8,8a-tetrahydro-1H-naphthalene-2,7-dione
CID 11030378
(4aR,8aS)-4a-methyl-3,4,8,8a-tetrahydro-1H-naphthalene-2,7-dione
CID 130985820
(2R,5R,6S,9S,13R)-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),7,17,19-tetraen-16-one
CID 163040845
5,5-dimethylcyclohept-2-en-1-one
CID 14809655
(4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one
CID 14395464
(1R)-4-oxo-1-prop-2-enylcyclohex-2-ene-1-carbonitrile
CID 13414219
4,4-bis(3-methylphenyl)cyclohex-2-en-1-one
CID 54188104
2,2-dimethyl-3,4-dihydro-1H-azepin-5-one
CID 55288417

Frequently Asked Questions

What is the IUPAC name of 4,4-dicyclopropylcyclohex-2-en-1-one?
The IUPAC name of 4,4-dicyclopropylcyclohex-2-en-1-one (CID 130029054) is 4,4-dicyclopropylcyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dicyclopropylcyclohex-2-en-1-one?
The canonical SMILES for 4,4-dicyclopropylcyclohex-2-en-1-one is O=C1C=CC(C2CC2)(C2CC2)CC1.
What is the InChIKey of 4,4-dicyclopropylcyclohex-2-en-1-one?
The InChIKey is QSENRDAQMZMZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c13-11-5-7-12(8-6-11,9-1-2-9)10-3-4-10/h5,7,9-10H,1-4,6,8H2.
What are the key properties of 4,4-dicyclopropylcyclohex-2-en-1-one?
4,4-dicyclopropylcyclohex-2-en-1-one has a molecular weight of 176.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dicyclopropylcyclohex-2-en-1-one is sourced from PubChem (CID 130029054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).