2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol

C14H26O2 — CID 116754535

IUPAC2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCOC1(C(O)CC2CCC2)CCC(C)CC1
InChIInChI=1S/C14H26O2/c1-11-6-8-14(16-2,9-7-11)13(15)10-12-4-3-5-12/h11-13,15H,3-10H2,1-2H3
InChIKeyFMIFONOMNKYQJR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.13
Rot. Bonds4

About 2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol

2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol (PubChem CID 116754535) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol
PubChem CID116754535
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCOC1(C(O)CC2CCC2)CCC(C)CC1
InChIInChI=1S/C14H26O2/c1-11-6-8-14(16-2,9-7-11)13(15)10-12-4-3-5-12/h11-13,15H,3-10H2,1-2H3
InChIKeyFMIFONOMNKYQJR-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol (CID 116754535) is 2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol is COC1(C(O)CC2CCC2)CCC(C)CC1.
What is the InChIKey of 2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The InChIKey is FMIFONOMNKYQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11-6-8-14(16-2,9-7-11)13(15)10-12-4-3-5-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol?
2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol has a molecular weight of 226.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol is sourced from PubChem (CID 116754535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).