(2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one

C15H24O2 — CID 139591589

IUPAC(2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one
SMILESC/C1=C\C(=O)C[C@H](C)/C=C/[C@H](C(C)(C)O)CC1
InChIInChI=1S/C15H24O2/c1-11-5-7-13(15(3,4)17)8-6-12(2)10-14(16)9-11/h5,7,10-11,13,17H,6,8-9H2,1-4H3/b7-5+,12-10+/t11-,13+/m1/s1
InChIKeyNRZAKJLNYYCGMN-HQQDGWKISA-N
MW236.35 g/mol
LogP3.27
Rot. Bonds1

About (2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one

(2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one (PubChem CID 139591589) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one.

Molecular Properties

Compound Name(2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one
PubChem CID139591589
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one
SMILESC/C1=C\C(=O)C[C@H](C)/C=C/[C@H](C(C)(C)O)CC1
InChIInChI=1S/C15H24O2/c1-11-5-7-13(15(3,4)17)8-6-12(2)10-14(16)9-11/h5,7,10-11,13,17H,6,8-9H2,1-4H3/b7-5+,12-10+/t11-,13+/m1/s1
InChIKeyNRZAKJLNYYCGMN-HQQDGWKISA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one?
The IUPAC name of (2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one (CID 139591589) is (2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one.
What is the SMILES notation for (2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one?
The canonical SMILES for (2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one is C/C1=C\C(=O)C[C@H](C)/C=C/[C@H](C(C)(C)O)CC1.
What is the InChIKey of (2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one?
The InChIKey is NRZAKJLNYYCGMN-HQQDGWKISA-N. The full InChI is InChI=1S/C15H24O2/c1-11-5-7-13(15(3,4)17)8-6-12(2)10-14(16)9-11/h5,7,10-11,13,17H,6,8-9H2,1-4H3/b7-5+,12-10+/t11-,13+/m1/s1.
What are the key properties of (2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one?
(2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6R,7E,9S)-6-(2-hydroxypropan-2-yl)-3,9-dimethylcyclodeca-2,7-dien-1-one is sourced from PubChem (CID 139591589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).