1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol

C17H32O2 — CID 115789621

IUPAC1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol
SMILESCCCCC1CCC(C(O)CC2CCOCC2)CC1
InChIInChI=1S/C17H32O2/c1-2-3-4-14-5-7-16(8-6-14)17(18)13-15-9-11-19-12-10-15/h14-18H,2-13H2,1H3
InChIKeyHQMPYCIMERSQCH-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.16
Rot. Bonds6

About 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol

1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol (PubChem CID 115789621) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol
PubChem CID115789621
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol
SMILESCCCCC1CCC(C(O)CC2CCOCC2)CC1
InChIInChI=1S/C17H32O2/c1-2-3-4-14-5-7-16(8-6-14)17(18)13-15-9-11-19-12-10-15/h14-18H,2-13H2,1H3
InChIKeyHQMPYCIMERSQCH-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylcyclohexyl)-(oxan-4-yl)methanol
CID 115797729
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 115846799
N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855953
1-cyclopropyl-3-(oxan-4-yl)propan-1-ol
CID 63357856
1-(oxan-4-yl)undecan-5-ol
CID 114191725
1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
CID 114981328
1-(4-butylcyclohexyl)pent-4-yn-1-ol
CID 115799427
1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 115803759
1-(4-butylcyclohexyl)hex-5-yn-1-ol
CID 115831781
1-(4-butylcyclohexyl)-2-methylpentan-1-ol
CID 114013662
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol
CID 63519665

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol (CID 115789621) is 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol is CCCCC1CCC(C(O)CC2CCOCC2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol?
The InChIKey is HQMPYCIMERSQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-3-4-14-5-7-16(8-6-14)17(18)13-15-9-11-19-12-10-15/h14-18H,2-13H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol?
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol has a molecular weight of 268.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 115789621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).