1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol

C15H30O — CID 83051969

IUPAC1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol
SMILESCCCC(O)C1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C15H30O/c1-5-7-14(16)12-8-10-13(11-9-12)15(3,4)6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyJOKOWGYHWIQRQS-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.39
Rot. Bonds5

About 1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol

1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol (PubChem CID 83051969) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol.

Molecular Properties

Compound Name1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol
PubChem CID83051969
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol
SMILESCCCC(O)C1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C15H30O/c1-5-7-14(16)12-8-10-13(11-9-12)15(3,4)6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyJOKOWGYHWIQRQS-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol?
The IUPAC name of 1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol (CID 83051969) is 1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol.
What is the SMILES notation for 1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol?
The canonical SMILES for 1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol is CCCC(O)C1CCC(C(C)(C)CC)CC1.
What is the InChIKey of 1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol?
The InChIKey is JOKOWGYHWIQRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-5-7-14(16)12-8-10-13(11-9-12)15(3,4)6-2/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol?
1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol is sourced from PubChem (CID 83051969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).