3-(2-methylpropyl)oxolan-2-ol

C8H16O2 — CID 129108620

IUPAC3-(2-methylpropyl)oxolan-2-ol
SMILESCC(C)CC1CCOC1O
InChIInChI=1S/C8H16O2/c1-6(2)5-7-3-4-10-8(7)9/h6-9H,3-5H2,1-2H3
InChIKeyOVLDDSRUIMEVQF-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.39
Rot. Bonds2

About 3-(2-methylpropyl)oxolan-2-ol

3-(2-methylpropyl)oxolan-2-ol (PubChem CID 129108620) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-(2-methylpropyl)oxolan-2-ol.

Molecular Properties

Compound Name3-(2-methylpropyl)oxolan-2-ol
PubChem CID129108620
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-(2-methylpropyl)oxolan-2-ol
SMILESCC(C)CC1CCOC1O
InChIInChI=1S/C8H16O2/c1-6(2)5-7-3-4-10-8(7)9/h6-9H,3-5H2,1-2H3
InChIKeyOVLDDSRUIMEVQF-UHFFFAOYSA-N
XLogP1.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)oxolan-2-ol?
The IUPAC name of 3-(2-methylpropyl)oxolan-2-ol (CID 129108620) is 3-(2-methylpropyl)oxolan-2-ol.
What is the SMILES notation for 3-(2-methylpropyl)oxolan-2-ol?
The canonical SMILES for 3-(2-methylpropyl)oxolan-2-ol is CC(C)CC1CCOC1O.
What is the InChIKey of 3-(2-methylpropyl)oxolan-2-ol?
The InChIKey is OVLDDSRUIMEVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)5-7-3-4-10-8(7)9/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)oxolan-2-ol?
3-(2-methylpropyl)oxolan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)oxolan-2-ol is sourced from PubChem (CID 129108620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).