(1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol

C12H18O — CID 10535328

IUPAC(1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol
SMILESC=C1CC[C@H]2[C@@H]3[C@H](O)CC[C@]3(C)[C@@H]12
InChIInChI=1S/C12H18O/c1-7-3-4-8-10(7)12(2)6-5-9(13)11(8)12/h8-11,13H,1,3-6H2,2H3/t8-,9-,10+,11-,12-/m1/s1
InChIKeyDOIFQTYGRBMKTO-RMPHRYRLSA-N
MW178.27 g/mol
LogP2.36
Rot. Bonds

About (1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol

(1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol (PubChem CID 10535328) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol.

Molecular Properties

Compound Name(1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol
PubChem CID10535328
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol
SMILESC=C1CC[C@H]2[C@@H]3[C@H](O)CC[C@]3(C)[C@@H]12
InChIInChI=1S/C12H18O/c1-7-3-4-8-10(7)12(2)6-5-9(13)11(8)12/h8-11,13H,1,3-6H2,2H3/t8-,9-,10+,11-,12-/m1/s1
InChIKeyDOIFQTYGRBMKTO-RMPHRYRLSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-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

(1R,2R,4aR,5R,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 10466747
(1S,2R,4aS,5S,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 162905517
(1R,3aR,4R,7aS)-1-(2-hydroxy-2-methylpropyl)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
CID 56672124
1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 519779
(1S,6R,7R)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 25244198
(1S,4aR,5R,8aS)-5-[(1S)-1-hydroxy-2-methylpropyl]-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol
CID 162994014
8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4,8-diol
CID 75221124
(1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol
CID 143252497
2-(1,5-dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
CID 138990134
1-(hydroxymethyl)-5-(2-methoxyethyl)-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalen-2-ol
CID 145316820
(8R,9S,10R,12S,13R,14S,15S)-12,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 99573715
(1S,1aS,1bS,5R,5aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol
CID 163191309

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol?
The IUPAC name of (1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol (CID 10535328) is (1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol.
What is the SMILES notation for (1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol?
The canonical SMILES for (1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol is C=C1CC[C@H]2[C@@H]3[C@H](O)CC[C@]3(C)[C@@H]12.
What is the InChIKey of (1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol?
The InChIKey is DOIFQTYGRBMKTO-RMPHRYRLSA-N. The full InChI is InChI=1S/C12H18O/c1-7-3-4-8-10(7)12(2)6-5-9(13)11(8)12/h8-11,13H,1,3-6H2,2H3/t8-,9-,10+,11-,12-/m1/s1.
What are the key properties of (1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol?
(1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol has a molecular weight of 178.27 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol is sourced from PubChem (CID 10535328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).