3-(5-methyloxolan-2-yl)butan-1-ol

C9H18O2 — CID 130144173

IUPAC3-(5-methyloxolan-2-yl)butan-1-ol
SMILESCC1CCC(C(C)CCO)O1
InChIInChI=1S/C9H18O2/c1-7(5-6-10)9-4-3-8(2)11-9/h7-10H,3-6H2,1-2H3
InChIKeyMBVPWWPPPVYHEI-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds3

About 3-(5-methyloxolan-2-yl)butan-1-ol

3-(5-methyloxolan-2-yl)butan-1-ol (PubChem CID 130144173) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(5-methyloxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-(5-methyloxolan-2-yl)butan-1-ol
PubChem CID130144173
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-(5-methyloxolan-2-yl)butan-1-ol
SMILESCC1CCC(C(C)CCO)O1
InChIInChI=1S/C9H18O2/c1-7(5-6-10)9-4-3-8(2)11-9/h7-10H,3-6H2,1-2H3
InChIKeyMBVPWWPPPVYHEI-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyloxolan-2-yl)butan-1-ol?
The IUPAC name of 3-(5-methyloxolan-2-yl)butan-1-ol (CID 130144173) is 3-(5-methyloxolan-2-yl)butan-1-ol.
What is the SMILES notation for 3-(5-methyloxolan-2-yl)butan-1-ol?
The canonical SMILES for 3-(5-methyloxolan-2-yl)butan-1-ol is CC1CCC(C(C)CCO)O1.
What is the InChIKey of 3-(5-methyloxolan-2-yl)butan-1-ol?
The InChIKey is MBVPWWPPPVYHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(5-6-10)9-4-3-8(2)11-9/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-(5-methyloxolan-2-yl)butan-1-ol?
3-(5-methyloxolan-2-yl)butan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyloxolan-2-yl)butan-1-ol is sourced from PubChem (CID 130144173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).