1-(4-butylcyclohexyl)-2-methylpentan-1-ol

C16H32O — CID 114013662

IUPAC1-(4-butylcyclohexyl)-2-methylpentan-1-ol
SMILESCCCCC1CCC(C(O)C(C)CCC)CC1
InChIInChI=1S/C16H32O/c1-4-6-8-14-9-11-15(12-10-14)16(17)13(3)7-5-2/h13-17H,4-12H2,1-3H3
InChIKeyIRTQGHONFDLYIP-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.78
Rot. Bonds7

About 1-(4-butylcyclohexyl)-2-methylpentan-1-ol

1-(4-butylcyclohexyl)-2-methylpentan-1-ol (PubChem CID 114013662) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-methylpentan-1-ol
PubChem CID114013662
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-(4-butylcyclohexyl)-2-methylpentan-1-ol
SMILESCCCCC1CCC(C(O)C(C)CCC)CC1
InChIInChI=1S/C16H32O/c1-4-6-8-14-9-11-15(12-10-14)16(17)13(3)7-5-2/h13-17H,4-12H2,1-3H3
InChIKeyIRTQGHONFDLYIP-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylcyclohexyl)-N-methylethanamine
CID 115780857
bis[1-(4-butylcyclohexyl)ethyl] carbonate
CID 141418629
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
(4-butylcyclohexyl)-(oxan-4-yl)methanol
CID 115797729
1-(4-butylcyclohexyl)pent-4-yn-1-ol
CID 115799427
1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
CID 114981328
2-methyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 107896549
1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 115803759
1-(4-butylcyclohexyl)hex-5-yn-1-ol
CID 115831781
1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
CID 114978751
1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 115834392
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol
CID 115789621

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-methylpentan-1-ol?
The IUPAC name of 1-(4-butylcyclohexyl)-2-methylpentan-1-ol (CID 114013662) is 1-(4-butylcyclohexyl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-methylpentan-1-ol is CCCCC1CCC(C(O)C(C)CCC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-methylpentan-1-ol?
The InChIKey is IRTQGHONFDLYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-4-6-8-14-9-11-15(12-10-14)16(17)13(3)7-5-2/h13-17H,4-12H2,1-3H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-methylpentan-1-ol?
1-(4-butylcyclohexyl)-2-methylpentan-1-ol has a molecular weight of 240.43 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-methylpentan-1-ol is sourced from PubChem (CID 114013662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).