(2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol

C10H12O — CID 98554845

IUPAC(2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
SMILESCC12C3[C@H]4C5[C@H](O)C([C@H]41)[C@@H]2[C@@H]53
InChIInChI=1S/C10H12O/c1-10-6-3-2-4(6)8(10)5(7(3)10)9(2)11/h2-9,11H,1H3/t2?,3-,4+,5?,6?,7-,8-,9-,10?/m0/s1
InChIKeyDKZNKEDWISFGRB-JOJJHKDMSA-N
MW148.20 g/mol
LogP0.74
Rot. Bonds

About (2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol

(2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol (PubChem CID 98554845) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol.

Molecular Properties

Compound Name(2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
PubChem CID98554845
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
SMILESCC12C3[C@H]4C5[C@H](O)C([C@H]41)[C@@H]2[C@@H]53
InChIInChI=1S/C10H12O/c1-10-6-3-2-4(6)8(10)5(7(3)10)9(2)11/h2-9,11H,1H3/t2?,3-,4+,5?,6?,7-,8-,9-,10?/m0/s1
InChIKeyDKZNKEDWISFGRB-JOJJHKDMSA-N
XLogP0.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol 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

(2R,3S,6R,7S,9R)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 124910900
1-methylcubane
CID 13245707
(2S,3S,6S,7S,9R)-4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 98554839
2,3-dimethyltricyclo[2.1.0.02,5]pentane
CID 123959749
(1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol
CID 124807375
(4-methyl-9-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl) acetate
CID 131855065
4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol
CID 130145523
(1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol
CID 98557506
(1R,2R,5R,6S,7S,8S)-6,7-dihydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one
CID 177414265
(1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol
CID 124784892
1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane
CID 58051264
(1S,5R,6R,7S,8S,12R,13R,14S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7,13,14-tetrol
CID 10709798

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol?
The IUPAC name of (2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol (CID 98554845) is (2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol.
What is the SMILES notation for (2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol?
The canonical SMILES for (2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol is CC12C3[C@H]4C5[C@H](O)C([C@H]41)[C@@H]2[C@@H]53.
What is the InChIKey of (2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol?
The InChIKey is DKZNKEDWISFGRB-JOJJHKDMSA-N. The full InChI is InChI=1S/C10H12O/c1-10-6-3-2-4(6)8(10)5(7(3)10)9(2)11/h2-9,11H,1H3/t2?,3-,4+,5?,6?,7-,8-,9-,10?/m0/s1.
What are the key properties of (2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol?
(2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol has a molecular weight of 148.20 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol is sourced from PubChem (CID 98554845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).