(1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol

C19H34O4 — CID 101437138

IUPAC(1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
SMILESCC(O)C(O)CC[C@]1(C)CC2C1CC[C@@]1(C)C[C@]2(O)CC[C@H]1O
InChIInChI=1S/C19H34O4/c1-12(20)15(21)5-8-17(2)10-14-13(17)4-7-18(3)11-19(14,23)9-6-16(18)22/h12-16,20-23H,4-11H2,1-3H3/t12?,13?,14?,15?,16-,17-,18+,19-/m1/s1
InChIKeyZJHRWYCZTZWNRY-NHTAJSIISA-N
MW326.48 g/mol
LogP2.23
Rot. Bonds4

About (1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol

(1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol (PubChem CID 101437138) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is (1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol.

Molecular Properties

Compound Name(1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
PubChem CID101437138
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name(1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
SMILESCC(O)C(O)CC[C@]1(C)CC2C1CC[C@@]1(C)C[C@]2(O)CC[C@H]1O
InChIInChI=1S/C19H34O4/c1-12(20)15(21)5-8-17(2)10-14-13(17)4-7-18(3)11-19(14,23)9-6-16(18)22/h12-16,20-23H,4-11H2,1-3H3/t12?,13?,14?,15?,16-,17-,18+,19-/m1/s1
InChIKeyZJHRWYCZTZWNRY-NHTAJSIISA-N
XLogP2.23
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol 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,2S,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 162902598
(1S,2R,5R,8R,9S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 162902597
(6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol
CID 78426246
(1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 6558363
6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
CID 57047859
(1R,2S,3S,7S,10S,11R)-6-(hydroxymethyl)-10-methyl-4-(2-methylprop-1-enyl)tricyclo[8.3.1.02,7]tetradec-5-ene-1,3,11-triol
CID 162921391
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
(1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid
CID 131115230
2-methyl-2-(3-methylbutyl)cyclopropan-1-amine
CID 62389533
2-methyl-2-propylcyclobutan-1-ol
CID 89040523
(1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol
CID 44584079
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042

Frequently Asked Questions

What is the IUPAC name of (1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol?
The IUPAC name of (1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol (CID 101437138) is (1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol.
What is the SMILES notation for (1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol?
The canonical SMILES for (1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol is CC(O)C(O)CC[C@]1(C)CC2C1CC[C@@]1(C)C[C@]2(O)CC[C@H]1O.
What is the InChIKey of (1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol?
The InChIKey is ZJHRWYCZTZWNRY-NHTAJSIISA-N. The full InChI is InChI=1S/C19H34O4/c1-12(20)15(21)5-8-17(2)10-14-13(17)4-7-18(3)11-19(14,23)9-6-16(18)22/h12-16,20-23H,4-11H2,1-3H3/t12?,13?,14?,15?,16-,17-,18+,19-/m1/s1.
What are the key properties of (1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol?
(1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol has a molecular weight of 326.48 g/mol, XLogP of 2.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol is sourced from PubChem (CID 101437138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).