(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol

C9H18O2 — CID 10975771

IUPAC(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol
SMILESCCCC[C@@H](O)[C@@H]1OC1(C)C
InChIInChI=1S/C9H18O2/c1-4-5-6-7(10)8-9(2,3)11-8/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyCLTMVQLKRINELB-SFYZADRCSA-N
MW158.24 g/mol
LogP1.71
Rot. Bonds4

About (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol

(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol (PubChem CID 10975771) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol
PubChem CID10975771
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol
SMILESCCCC[C@@H](O)[C@@H]1OC1(C)C
InChIInChI=1S/C9H18O2/c1-4-5-6-7(10)8-9(2,3)11-8/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyCLTMVQLKRINELB-SFYZADRCSA-N
XLogP1.71
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-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

1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol
CID 10419307
(1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol
CID 69074201
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
1-cyclopropylpentan-1-ol
CID 551238
(1R)-1-[(2S,5R)-5-[(1S)-1-hydroxypentyl]oxolan-2-yl]pentan-1-ol
CID 101238341
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol
CID 115838780
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
[(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]heptyl] acetate
CID 10443772
1-(3,3-dimethyloxiran-2-yl)ethanol
CID 10920486
N,N-dihydroxydecan-5-amine
CID 88629686
(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol
CID 10353745

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol?
The IUPAC name of (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol (CID 10975771) is (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol.
What is the SMILES notation for (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol?
The canonical SMILES for (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol is CCCC[C@@H](O)[C@@H]1OC1(C)C.
What is the InChIKey of (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol?
The InChIKey is CLTMVQLKRINELB-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-6-7(10)8-9(2,3)11-8/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol?
(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]pentan-1-ol is sourced from PubChem (CID 10975771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).