2-(1-methylcyclohexyl)oxane

C12H22O — CID 101355768

IUPAC2-(1-methylcyclohexyl)oxane
SMILESCC1(C2CCCCO2)CCCCC1
InChIInChI=1S/C12H22O/c1-12(8-4-2-5-9-12)11-7-3-6-10-13-11/h11H,2-10H2,1H3
InChIKeyVOAWPWUJNAMGIO-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.53
Rot. Bonds1

About 2-(1-methylcyclohexyl)oxane

2-(1-methylcyclohexyl)oxane (PubChem CID 101355768) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)oxane.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)oxane
PubChem CID101355768
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(1-methylcyclohexyl)oxane
SMILESCC1(C2CCCCO2)CCCCC1
InChIInChI=1S/C12H22O/c1-12(8-4-2-5-9-12)11-7-3-6-10-13-11/h11H,2-10H2,1H3
InChIKeyVOAWPWUJNAMGIO-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)oxane?
The IUPAC name of 2-(1-methylcyclohexyl)oxane (CID 101355768) is 2-(1-methylcyclohexyl)oxane.
What is the SMILES notation for 2-(1-methylcyclohexyl)oxane?
The canonical SMILES for 2-(1-methylcyclohexyl)oxane is CC1(C2CCCCO2)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)oxane?
The InChIKey is VOAWPWUJNAMGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-12(8-4-2-5-9-12)11-7-3-6-10-13-11/h11H,2-10H2,1H3.
What are the key properties of 2-(1-methylcyclohexyl)oxane?
2-(1-methylcyclohexyl)oxane has a molecular weight of 182.31 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)oxane is sourced from PubChem (CID 101355768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).