(1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol

C15H26O2 — CID 163037310

IUPAC(1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)O)[C@@H]2[C@@H]3[C@@]21CC[C@@]3(C)O
InChIInChI=1S/C15H26O2/c1-9-5-6-10(13(2,3)16)11-12-14(4,17)7-8-15(9,11)12/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12+,14-,15-/m1/s1
InChIKeyVJDDPDKNJHKWDF-OYFKMHTJSA-N
MW238.37 g/mol
LogP2.58
Rot. Bonds1

About (1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol

(1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol (PubChem CID 163037310) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol.

Molecular Properties

Compound Name(1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol
PubChem CID163037310
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)O)[C@@H]2[C@@H]3[C@@]21CC[C@@]3(C)O
InChIInChI=1S/C15H26O2/c1-9-5-6-10(13(2,3)16)11-12-14(4,17)7-8-15(9,11)12/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12+,14-,15-/m1/s1
InChIKeyVJDDPDKNJHKWDF-OYFKMHTJSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-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,4S,5R,6R,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-ol
CID 122541122
4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-8-en-4-ol
CID 162816988
(3R,3aS,4S,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-2,3,3a,4,5,6,7,8-octahydro-1H-azulen-4-ol
CID 102033115
(1S,4R,4aS,5S,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol
CID 90838140
(1S,2R,4aR,8R,8aR)-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol
CID 10038055
(1R,3R,4R)-4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,3-diol
CID 86333734
(3S,4aS,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-ol
CID 44559304
(1R,2R,4aR,5S,8S,8aR)-8-(2-hydroxypropan-2-yl)-2,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-1,5-diol
CID 124857665
7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
CID 162870708
cis-(1S,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutane-1-carbaldehyde
CID 15119245
1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol
CID 142654820
(1R,3aR,4E,6R,8Z,10S,12S,12aS)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-1,2,3,6,7,11,12,12a-octahydrocyclopenta[11]annulene-10,12-diol
CID 162985438

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol?
The IUPAC name of (1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol (CID 163037310) is (1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol.
What is the SMILES notation for (1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol?
The canonical SMILES for (1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol is C[C@@H]1CC[C@@H](C(C)(C)O)[C@@H]2[C@@H]3[C@@]21CC[C@@]3(C)O.
What is the InChIKey of (1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol?
The InChIKey is VJDDPDKNJHKWDF-OYFKMHTJSA-N. The full InChI is InChI=1S/C15H26O2/c1-9-5-6-10(13(2,3)16)11-12-14(4,17)7-8-15(9,11)12/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12+,14-,15-/m1/s1.
What are the key properties of (1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol?
(1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol has a molecular weight of 238.37 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,6R,7R,10R)-7-(2-hydroxypropan-2-yl)-4,10-dimethyltricyclo[4.4.0.01,5]decan-4-ol is sourced from PubChem (CID 163037310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).