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

C8H16O2 — CID 63332038

IUPAC3-(2-methylpropyl)oxolan-3-ol
SMILESCC(C)CC1(O)CCOC1
InChIInChI=1S/C8H16O2/c1-7(2)5-8(9)3-4-10-6-8/h7,9H,3-6H2,1-2H3
InChIKeyDPZVEGTXVRKDPN-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds2

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

3-(2-methylpropyl)oxolan-3-ol (PubChem CID 63332038) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-(2-methylpropyl)oxolan-3-ol.

Molecular Properties

Compound Name3-(2-methylpropyl)oxolan-3-ol
PubChem CID63332038
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-(2-methylpropyl)oxolan-3-ol
SMILESCC(C)CC1(O)CCOC1
InChIInChI=1S/C8H16O2/c1-7(2)5-8(9)3-4-10-6-8/h7,9H,3-6H2,1-2H3
InChIKeyDPZVEGTXVRKDPN-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
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-3-ol?
The IUPAC name of 3-(2-methylpropyl)oxolan-3-ol (CID 63332038) is 3-(2-methylpropyl)oxolan-3-ol.
What is the SMILES notation for 3-(2-methylpropyl)oxolan-3-ol?
The canonical SMILES for 3-(2-methylpropyl)oxolan-3-ol is CC(C)CC1(O)CCOC1.
What is the InChIKey of 3-(2-methylpropyl)oxolan-3-ol?
The InChIKey is DPZVEGTXVRKDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)5-8(9)3-4-10-6-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)oxolan-3-ol?
3-(2-methylpropyl)oxolan-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 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-3-ol is sourced from PubChem (CID 63332038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).