1-cyclopentyloxy-4-methylcyclohexane

C12H22O — CID 10081055

IUPAC1-cyclopentyloxy-4-methylcyclohexane
SMILESCC1CCC(OC2CCCC2)CC1
InChIInChI=1S/C12H22O/c1-10-6-8-12(9-7-10)13-11-4-2-3-5-11/h10-12H,2-9H2,1H3
InChIKeyYMQBMUKFZXCESS-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.52
Rot. Bonds2

About 1-cyclopentyloxy-4-methylcyclohexane

1-cyclopentyloxy-4-methylcyclohexane (PubChem CID 10081055) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-cyclopentyloxy-4-methylcyclohexane.

Molecular Properties

Compound Name1-cyclopentyloxy-4-methylcyclohexane
PubChem CID10081055
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-cyclopentyloxy-4-methylcyclohexane
SMILESCC1CCC(OC2CCCC2)CC1
InChIInChI=1S/C12H22O/c1-10-6-8-12(9-7-10)13-11-4-2-3-5-11/h10-12H,2-9H2,1H3
InChIKeyYMQBMUKFZXCESS-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-4-methylcyclohexane?
The IUPAC name of 1-cyclopentyloxy-4-methylcyclohexane (CID 10081055) is 1-cyclopentyloxy-4-methylcyclohexane.
What is the SMILES notation for 1-cyclopentyloxy-4-methylcyclohexane?
The canonical SMILES for 1-cyclopentyloxy-4-methylcyclohexane is CC1CCC(OC2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyloxy-4-methylcyclohexane?
The InChIKey is YMQBMUKFZXCESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10-6-8-12(9-7-10)13-11-4-2-3-5-11/h10-12H,2-9H2,1H3.
What are the key properties of 1-cyclopentyloxy-4-methylcyclohexane?
1-cyclopentyloxy-4-methylcyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-4-methylcyclohexane is sourced from PubChem (CID 10081055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).