(1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol

C15H26O — CID 162885712

IUPAC(1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol
SMILESCC(C)[C@H]1CC[C@](C)(O)[C@@H]2[C@H]3C[C@H](C)C[C@]132
InChIInChI=1S/C15H26O/c1-9(2)11-5-6-14(4,16)13-12-7-10(3)8-15(11,12)13/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-/m0/s1
InChIKeyCKZXONNJVHXSQM-RHTUOURWSA-N
MW222.37 g/mol
LogP3.47
Rot. Bonds1

About (1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol

(1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol (PubChem CID 162885712) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol.

Molecular Properties

Compound Name(1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol
PubChem CID162885712
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol
SMILESCC(C)[C@H]1CC[C@](C)(O)[C@@H]2[C@H]3C[C@H](C)C[C@]132
InChIInChI=1S/C15H26O/c1-9(2)11-5-6-14(4,16)13-12-7-10(3)8-15(11,12)13/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-/m0/s1
InChIKeyCKZXONNJVHXSQM-RHTUOURWSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol with MolForge

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Launch Full Analysis

Related Compounds

cis-(1R,2R)-1-methyl-2-propan-2-ylcyclopentan-1-ol
CID 158874958
7-methyltricyclo[3.3.0.01,4]octane
CID 148884206
1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 114245728
(1R,4S,5R,6R,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-ol
CID 122541122
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
1,1,3-trimethyl-5-propan-2-ylcycloheptane
CID 91452397
trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
CID 54292427
1,2-di(propan-2-yl)cyclohexane-1,4-diol
CID 174428698
1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane
CID 100977936
5-bromo-4,8-dimethyl-15-propan-2-yltetracyclo[10.2.1.01,10.04,9]pentadecane-8,13-diol
CID 75182968
(2S,3S,5S,8R,9R,10S,13R,14S,17R)-2,3,13-trimethyl-17-propan-2-yl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 118919808

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol?
The IUPAC name of (1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol (CID 162885712) is (1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol.
What is the SMILES notation for (1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol?
The canonical SMILES for (1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol is CC(C)[C@H]1CC[C@](C)(O)[C@@H]2[C@H]3C[C@H](C)C[C@]132.
What is the InChIKey of (1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol?
The InChIKey is CKZXONNJVHXSQM-RHTUOURWSA-N. The full InChI is InChI=1S/C15H26O/c1-9(2)11-5-6-14(4,16)13-12-7-10(3)8-15(11,12)13/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-/m0/s1.
What are the key properties of (1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol?
(1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol has a molecular weight of 222.37 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol is sourced from PubChem (CID 162885712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).