(1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol

C14H26O2 — CID 134904108

IUPAC(1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol
SMILESC=C(C)[C@H](C(O)C(C)C)[C@H](O)C1CCCC1
InChIInChI=1S/C14H26O2/c1-9(2)12(13(15)10(3)4)14(16)11-7-5-6-8-11/h10-16H,1,5-8H2,2-4H3/t12-,13?,14-/m1/s1
InChIKeyXFXUSOREBQKOLZ-WYAMFQBQSA-N
MW226.36 g/mol
LogP2.75
Rot. Bonds5

About (1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol

(1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol (PubChem CID 134904108) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol.

Molecular Properties

Compound Name(1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol
PubChem CID134904108
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol
SMILESC=C(C)[C@H](C(O)C(C)C)[C@H](O)C1CCCC1
InChIInChI=1S/C14H26O2/c1-9(2)12(13(15)10(3)4)14(16)11-7-5-6-8-11/h10-16H,1,5-8H2,2-4H3/t12-,13?,14-/m1/s1
InChIKeyXFXUSOREBQKOLZ-WYAMFQBQSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-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

3,7-Dimethyl-7-octen-1-ol
CID 543323
Rhodinol
CID 81263
7-Octene-1,6-diol, 3,7-dimethyl-
CID 90790
7-Methyl-3-methylene-1-octanol
CID 22764431
2,10-Dimethyl-6-methylene-1,4-dodecanediol
CID 131753009
Cyclopentanepropanol, 2-methylene-
CID 556392
Cyclohexanemethanol, alpha-(2-methylallyl)-
CID 565338
7-Octen-1-ol, 6-hydroperoxy-3,7-dimethyl-
CID 11171459
(1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
CID 11276209
3,7-Dimethyl-7-octen-2-ol
CID 15559111
4,8-Dimethylnon-8-en-1-ol
CID 21641193
(1R,2S,3R,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
CID 57681721

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol?
The IUPAC name of (1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol (CID 134904108) is (1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol.
What is the SMILES notation for (1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol?
The canonical SMILES for (1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol is C=C(C)[C@H](C(O)C(C)C)[C@H](O)C1CCCC1.
What is the InChIKey of (1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol?
The InChIKey is XFXUSOREBQKOLZ-WYAMFQBQSA-N. The full InChI is InChI=1S/C14H26O2/c1-9(2)12(13(15)10(3)4)14(16)11-7-5-6-8-11/h10-16H,1,5-8H2,2-4H3/t12-,13?,14-/m1/s1.
What are the key properties of (1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol?
(1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol has a molecular weight of 226.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol is sourced from PubChem (CID 134904108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).