4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene

C12H20O2 — CID 70063850

IUPAC4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene
SMILESC=C.C=CCCC1(O)CCC(=O)CC1
InChIInChI=1S/C10H16O2.C2H4/c1-2-3-6-10(12)7-4-9(11)5-8-10;1-2/h2,12H,1,3-8H2;1-2H2
InChIKeyFAPSIRBBFRRGEI-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.63
Rot. Bonds3

About 4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene

4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene (PubChem CID 70063850) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene.

Molecular Properties

Compound Name4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene
PubChem CID70063850
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene
SMILESC=C.C=CCCC1(O)CCC(=O)CC1
InChIInChI=1S/C10H16O2.C2H4/c1-2-3-6-10(12)7-4-9(11)5-8-10;1-2/h2,12H,1,3-8H2;1-2H2
InChIKeyFAPSIRBBFRRGEI-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 13056272
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CID 102505763
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CID 102505764
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CID 10654447
CID 10654447

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene?
The IUPAC name of 4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene (CID 70063850) is 4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene.
What is the SMILES notation for 4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene?
The canonical SMILES for 4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene is C=C.C=CCCC1(O)CCC(=O)CC1.
What is the InChIKey of 4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene?
The InChIKey is FAPSIRBBFRRGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C2H4/c1-2-3-6-10(12)7-4-9(11)5-8-10;1-2/h2,12H,1,3-8H2;1-2H2.
What are the key properties of 4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene?
4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene has a molecular weight of 196.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-4-hydroxycyclohexan-1-one;ethene is sourced from PubChem (CID 70063850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).