2-methyl-2-(4-methylpentyl)oxolane

C11H22O — CID 91749801

IUPAC2-methyl-2-(4-methylpentyl)oxolane
SMILESCC(C)CCCC1(C)CCCO1
InChIInChI=1S/C11H22O/c1-10(2)6-4-7-11(3)8-5-9-12-11/h10H,4-9H2,1-3H3
InChIKeyXCZUYIGFSVRKBU-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds4

About 2-methyl-2-(4-methylpentyl)oxolane

2-methyl-2-(4-methylpentyl)oxolane (PubChem CID 91749801) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpentyl)oxolane.

Molecular Properties

Compound Name2-methyl-2-(4-methylpentyl)oxolane
PubChem CID91749801
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-methyl-2-(4-methylpentyl)oxolane
SMILESCC(C)CCCC1(C)CCCO1
InChIInChI=1S/C11H22O/c1-10(2)6-4-7-11(3)8-5-9-12-11/h10H,4-9H2,1-3H3
InChIKeyXCZUYIGFSVRKBU-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpentyl)oxolane?
The IUPAC name of 2-methyl-2-(4-methylpentyl)oxolane (CID 91749801) is 2-methyl-2-(4-methylpentyl)oxolane.
What is the SMILES notation for 2-methyl-2-(4-methylpentyl)oxolane?
The canonical SMILES for 2-methyl-2-(4-methylpentyl)oxolane is CC(C)CCCC1(C)CCCO1.
What is the InChIKey of 2-methyl-2-(4-methylpentyl)oxolane?
The InChIKey is XCZUYIGFSVRKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-10(2)6-4-7-11(3)8-5-9-12-11/h10H,4-9H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methylpentyl)oxolane?
2-methyl-2-(4-methylpentyl)oxolane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpentyl)oxolane is sourced from PubChem (CID 91749801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).