(4-butylcyclohexyl)-(oxan-4-yl)methanol

C16H30O2 — CID 115797729

IUPAC(4-butylcyclohexyl)-(oxan-4-yl)methanol
SMILESCCCCC1CCC(C(O)C2CCOCC2)CC1
InChIInChI=1S/C16H30O2/c1-2-3-4-13-5-7-14(8-6-13)16(17)15-9-11-18-12-10-15/h13-17H,2-12H2,1H3
InChIKeyYKFJEFXMQHFRLC-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.77
Rot. Bonds5

About (4-butylcyclohexyl)-(oxan-4-yl)methanol

(4-butylcyclohexyl)-(oxan-4-yl)methanol (PubChem CID 115797729) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(oxan-4-yl)methanol
PubChem CID115797729
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(4-butylcyclohexyl)-(oxan-4-yl)methanol
SMILESCCCCC1CCC(C(O)C2CCOCC2)CC1
InChIInChI=1S/C16H30O2/c1-2-3-4-13-5-7-14(8-6-13)16(17)15-9-11-18-12-10-15/h13-17H,2-12H2,1H3
InChIKeyYKFJEFXMQHFRLC-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol
CID 115789621
N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855953
cyclohexyl-(4-pentylcyclohexyl)methanol
CID 141212039
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 115846799
cyclopropyl(oxan-4-yl)methanol
CID 63936668
1-(oxan-4-yl)undecan-5-ol
CID 114191725
1-(4-butylcyclohexyl)-2-methylpentan-1-ol
CID 114013662
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649753
2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol
CID 139741189
2-(4-butylcyclohexyl)ethanol
CID 15085164
1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
CID 114981328

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(oxan-4-yl)methanol?
The IUPAC name of (4-butylcyclohexyl)-(oxan-4-yl)methanol (CID 115797729) is (4-butylcyclohexyl)-(oxan-4-yl)methanol.
What is the SMILES notation for (4-butylcyclohexyl)-(oxan-4-yl)methanol?
The canonical SMILES for (4-butylcyclohexyl)-(oxan-4-yl)methanol is CCCCC1CCC(C(O)C2CCOCC2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(oxan-4-yl)methanol?
The InChIKey is YKFJEFXMQHFRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-2-3-4-13-5-7-14(8-6-13)16(17)15-9-11-18-12-10-15/h13-17H,2-12H2,1H3.
What are the key properties of (4-butylcyclohexyl)-(oxan-4-yl)methanol?
(4-butylcyclohexyl)-(oxan-4-yl)methanol has a molecular weight of 254.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(oxan-4-yl)methanol is sourced from PubChem (CID 115797729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).