2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone

C15H20O2 — CID 101256337

IUPAC2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone
SMILESC=C1CCCC(C)(C)[C@@H]1CC(=O)c1ccoc1
InChIInChI=1S/C15H20O2/c1-11-5-4-7-15(2,3)13(11)9-14(16)12-6-8-17-10-12/h6,8,10,13H,1,4-5,7,9H2,2-3H3/t13-/m1/s1
InChIKeyOLNXDVSHVILDLN-CYBMUJFWSA-N
MW232.32 g/mol
LogP4.23
Rot. Bonds3

About 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone

2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone (PubChem CID 101256337) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone.

Molecular Properties

Compound Name2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone
PubChem CID101256337
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone
SMILESC=C1CCCC(C)(C)[C@@H]1CC(=O)c1ccoc1
InChIInChI=1S/C15H20O2/c1-11-5-4-7-15(2,3)13(11)9-14(16)12-6-8-17-10-12/h6,8,10,13H,1,4-5,7,9H2,2-3H3/t13-/m1/s1
InChIKeyOLNXDVSHVILDLN-CYBMUJFWSA-N
XLogP4.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.23
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 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone?
The IUPAC name of 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone (CID 101256337) is 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone.
What is the SMILES notation for 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone?
The canonical SMILES for 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone is C=C1CCCC(C)(C)[C@@H]1CC(=O)c1ccoc1.
What is the InChIKey of 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone?
The InChIKey is OLNXDVSHVILDLN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-5-4-7-15(2,3)13(11)9-14(16)12-6-8-17-10-12/h6,8,10,13H,1,4-5,7,9H2,2-3H3/t13-/m1/s1.
What are the key properties of 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone?
2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone has a molecular weight of 232.32 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone is sourced from PubChem (CID 101256337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).