4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one

C10H14O3 — CID 14068876

IUPAC4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one
SMILESCC1(C2OCCO2)C=CC(=O)CC1
InChIInChI=1S/C10H14O3/c1-10(9-12-6-7-13-9)4-2-8(11)3-5-10/h2,4,9H,3,5-7H2,1H3
InChIKeyYPCZTBSSWFAEMB-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.28
Rot. Bonds1

About 4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one

4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one (PubChem CID 14068876) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one
PubChem CID14068876
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one
SMILESCC1(C2OCCO2)C=CC(=O)CC1
InChIInChI=1S/C10H14O3/c1-10(9-12-6-7-13-9)4-2-8(11)3-5-10/h2,4,9H,3,5-7H2,1H3
InChIKeyYPCZTBSSWFAEMB-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(4aR,8aS)-4a-methyl-3,4,8,8a-tetrahydro-1H-naphthalene-2,7-dione
CID 130985820
4,4-dicyclopropylcyclohex-2-en-1-one
CID 130029054
4-methyl-4-propan-2-ylcyclohex-2-en-1-one
CID 71303376
(4aS,10aS)-10a-methyl-4,4a,9,10-tetrahydrophenanthren-3-one
CID 10727270
4,4-dimethoxycyclohex-2-en-1-one
CID 134922373
(3'aR,7'aR)-3'a-methylspiro[1,3-dioxolane-2,6'-4,5,7,7a-tetrahydroindene]-1'-one
CID 15896740
5,5-dimethylcyclohept-2-en-1-one
CID 14809655
2,2-dimethyl-3,4-dihydro-1H-azepin-5-one
CID 55288417
(1R,3aS,4S,5S,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-5-[(1S)-1-methyl-4-oxocyclohex-2-en-1-yl]-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid
CID 11896409
4,4-dibutylcyclohex-2-en-1-one
CID 14836303
(3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one
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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one (CID 14068876) is 4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one is CC1(C2OCCO2)C=CC(=O)CC1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one?
The InChIKey is YPCZTBSSWFAEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-10(9-12-6-7-13-9)4-2-8(11)3-5-10/h2,4,9H,3,5-7H2,1H3.
What are the key properties of 4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one?
4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one has a molecular weight of 182.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one is sourced from PubChem (CID 14068876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).