2-(1-methylcyclohexyl)oxolane

C11H20O — CID 23594551

IUPAC2-(1-methylcyclohexyl)oxolane
SMILESCC1(C2CCCO2)CCCCC1
InChIInChI=1S/C11H20O/c1-11(7-3-2-4-8-11)10-6-5-9-12-10/h10H,2-9H2,1H3
InChIKeyFQVDWEGCCMPJMH-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.14
Rot. Bonds1

About 2-(1-methylcyclohexyl)oxolane

2-(1-methylcyclohexyl)oxolane (PubChem CID 23594551) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)oxolane.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)oxolane
PubChem CID23594551
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(1-methylcyclohexyl)oxolane
SMILESCC1(C2CCCO2)CCCCC1
InChIInChI=1S/C11H20O/c1-11(7-3-2-4-8-11)10-6-5-9-12-10/h10H,2-9H2,1H3
InChIKeyFQVDWEGCCMPJMH-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)oxolane?
The IUPAC name of 2-(1-methylcyclohexyl)oxolane (CID 23594551) is 2-(1-methylcyclohexyl)oxolane.
What is the SMILES notation for 2-(1-methylcyclohexyl)oxolane?
The canonical SMILES for 2-(1-methylcyclohexyl)oxolane is CC1(C2CCCO2)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)oxolane?
The InChIKey is FQVDWEGCCMPJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-11(7-3-2-4-8-11)10-6-5-9-12-10/h10H,2-9H2,1H3.
What are the key properties of 2-(1-methylcyclohexyl)oxolane?
2-(1-methylcyclohexyl)oxolane has a molecular weight of 168.28 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)oxolane is sourced from PubChem (CID 23594551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).