(1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one

C11H14O2 — CID 130831597

IUPAC(1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one
SMILESCO[C@@]1(C)C(=O)[C@H]2C=CC=C[C@@H]1C2
InChIInChI=1S/C11H14O2/c1-11(13-2)9-6-4-3-5-8(7-9)10(11)12/h3-6,8-9H,7H2,1-2H3/t8-,9+,11+/m0/s1
InChIKeyAWXLCINLTYVCMV-IQJOONFLSA-N
MW178.23 g/mol
LogP1.72
Rot. Bonds1

About (1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one

(1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one (PubChem CID 130831597) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one.

Molecular Properties

Compound Name(1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one
PubChem CID130831597
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one
SMILESCO[C@@]1(C)C(=O)[C@H]2C=CC=C[C@@H]1C2
InChIInChI=1S/C11H14O2/c1-11(13-2)9-6-4-3-5-8(7-9)10(11)12/h3-6,8-9H,7H2,1-2H3/t8-,9+,11+/m0/s1
InChIKeyAWXLCINLTYVCMV-IQJOONFLSA-N
XLogP1.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,3aR,6aS)-3-methoxy-3-methyl-1,3a,6,6a-tetrahydropentalen-2-one
CID 10559000
2-Methoxybicyclo[3.2.0]hept-6-en-3-one
CID 14906869
3-Methoxy-3-methyl-1,3a,6,6a-tetrahydropentalen-2-one
CID 85185549
(1R,2S,5S)-2-methoxybicyclo[3.2.0]hept-6-en-3-one
CID 101600527
(1R,2R,5S)-2-methoxybicyclo[3.2.0]hept-6-en-3-one
CID 101600528
(1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one
CID 131071196
(3S,3aS,6aR)-3-methoxy-3-methyl-1,3a,6,6a-tetrahydropentalen-2-one
CID 131204402

Frequently Asked Questions

What is the IUPAC name of (1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one?
The IUPAC name of (1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one (CID 130831597) is (1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one.
What is the SMILES notation for (1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one?
The canonical SMILES for (1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one is CO[C@@]1(C)C(=O)[C@H]2C=CC=C[C@@H]1C2.
What is the InChIKey of (1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one?
The InChIKey is AWXLCINLTYVCMV-IQJOONFLSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(13-2)9-6-4-3-5-8(7-9)10(11)12/h3-6,8-9H,7H2,1-2H3/t8-,9+,11+/m0/s1.
What are the key properties of (1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one?
(1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one has a molecular weight of 178.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one is sourced from PubChem (CID 130831597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).