3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one

C14H18O2 — CID 13032245

IUPAC3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
SMILESC=C(C)C1CC(=O)C(C)C(c2ccco2)C1
InChIInChI=1S/C14H18O2/c1-9(2)11-7-12(10(3)13(15)8-11)14-5-4-6-16-14/h4-6,10-12H,1,7-8H2,2-3H3
InChIKeyIUXDJZSHASRVKJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.55
Rot. Bonds2

About 3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one

3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one (PubChem CID 13032245) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
PubChem CID13032245
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
SMILESC=C(C)C1CC(=O)C(C)C(c2ccco2)C1
InChIInChI=1S/C14H18O2/c1-9(2)11-7-12(10(3)13(15)8-11)14-5-4-6-16-14/h4-6,10-12H,1,7-8H2,2-3H3
InChIKeyIUXDJZSHASRVKJ-UHFFFAOYSA-N
XLogP3.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
The IUPAC name of 3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one (CID 13032245) is 3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
The canonical SMILES for 3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one is C=C(C)C1CC(=O)C(C)C(c2ccco2)C1.
What is the InChIKey of 3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
The InChIKey is IUXDJZSHASRVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9(2)11-7-12(10(3)13(15)8-11)14-5-4-6-16-14/h4-6,10-12H,1,7-8H2,2-3H3.
What are the key properties of 3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one is sourced from PubChem (CID 13032245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).