(4S,5R)-5-butyl-4-methyloxolan-2-ol

C9H18O2 — CID 13349176

IUPAC(4S,5R)-5-butyl-4-methyloxolan-2-ol
SMILESCCCC[C@H]1OC(O)C[C@@H]1C
InChIInChI=1S/C9H18O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-10H,3-6H2,1-2H3/t7-,8+,9?/m0/s1
InChIKeyRLTLZOKNOFKELF-ZQTLJVIJSA-N
MW158.24 g/mol
LogP1.92
Rot. Bonds3

About (4S,5R)-5-butyl-4-methyloxolan-2-ol

(4S,5R)-5-butyl-4-methyloxolan-2-ol (PubChem CID 13349176) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (4S,5R)-5-butyl-4-methyloxolan-2-ol.

Molecular Properties

Compound Name(4S,5R)-5-butyl-4-methyloxolan-2-ol
PubChem CID13349176
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(4S,5R)-5-butyl-4-methyloxolan-2-ol
SMILESCCCC[C@H]1OC(O)C[C@@H]1C
InChIInChI=1S/C9H18O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-10H,3-6H2,1-2H3/t7-,8+,9?/m0/s1
InChIKeyRLTLZOKNOFKELF-ZQTLJVIJSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,5R)-5-butyl-4-methyloxolan-2-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

Hydroxycitronellal propyleneglycol acetal
CID 2839751
5-(Oxolan-2-ylmethyl)heptan-2-ol
CID 551274
Rel-(2R,3S,4R,5R)-4-ethyltetrahydro-3-methyl-5-propylfuran-2,3-diol
CID 139586359
2-Hydroxy-5-pentyl-tetrahydrofuran
CID 10702081
2-Furanol, 5-heptyltetrahydro-
CID 10750059
5-Methyl-6-(oxolan-2-yl)hexan-2-ol
CID 3611923
(2S,5R)-5-pentyltetrahydrofuran-2-ol
CID 14644532
2-Methyl-4-(8-hydroxynonyl) tetrahydrofuran
CID 129727126
6-Hexyl-4-methyloxan-2-ol
CID 135070133
1-Oxaspiro[4.5]decan-2-ol
CID 11446477
3-(2-Methylpropyl)oxolan-2-ol
CID 129108620
5,5-Dimethyl-4-propyltetrahydro-2-furanol
CID 11228944

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-butyl-4-methyloxolan-2-ol?
The IUPAC name of (4S,5R)-5-butyl-4-methyloxolan-2-ol (CID 13349176) is (4S,5R)-5-butyl-4-methyloxolan-2-ol.
What is the SMILES notation for (4S,5R)-5-butyl-4-methyloxolan-2-ol?
The canonical SMILES for (4S,5R)-5-butyl-4-methyloxolan-2-ol is CCCC[C@H]1OC(O)C[C@@H]1C.
What is the InChIKey of (4S,5R)-5-butyl-4-methyloxolan-2-ol?
The InChIKey is RLTLZOKNOFKELF-ZQTLJVIJSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-10H,3-6H2,1-2H3/t7-,8+,9?/m0/s1.
What are the key properties of (4S,5R)-5-butyl-4-methyloxolan-2-ol?
(4S,5R)-5-butyl-4-methyloxolan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-butyl-4-methyloxolan-2-ol is sourced from PubChem (CID 13349176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).