4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol

C9H18O2 — CID 88870107

IUPAC4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol
SMILESCC(C)CCC(O)C1OC1C
InChIInChI=1S/C9H18O2/c1-6(2)4-5-8(10)9-7(3)11-9/h6-10H,4-5H2,1-3H3
InChIKeyFEZJRWLSMUTAAI-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds4

About 4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol

4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol (PubChem CID 88870107) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol
PubChem CID88870107
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol
SMILESCC(C)CCC(O)C1OC1C
InChIInChI=1S/C9H18O2/c1-6(2)4-5-8(10)9-7(3)11-9/h6-10H,4-5H2,1-3H3
InChIKeyFEZJRWLSMUTAAI-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol?
The IUPAC name of 4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol (CID 88870107) is 4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol.
What is the SMILES notation for 4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol?
The canonical SMILES for 4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol is CC(C)CCC(O)C1OC1C.
What is the InChIKey of 4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol?
The InChIKey is FEZJRWLSMUTAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-6(2)4-5-8(10)9-7(3)11-9/h6-10H,4-5H2,1-3H3.
What are the key properties of 4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol?
4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol is sourced from PubChem (CID 88870107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).