(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol

C16H28O2 — CID 102649753

IUPAC(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESCCCCC1CCC(C(O)C2=CCCCO2)CC1
InChIInChI=1S/C16H28O2/c1-2-3-6-13-8-10-14(11-9-13)16(17)15-7-4-5-12-18-15/h7,13-14,16-17H,2-6,8-12H2,1H3
InChIKeyMROMAQZWZOTPCW-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.04
Rot. Bonds5

About (4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol

(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol (PubChem CID 102649753) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
PubChem CID102649753
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESCCCCC1CCC(C(O)C2=CCCCO2)CC1
InChIInChI=1S/C16H28O2/c1-2-3-6-13-8-10-14(11-9-13)16(17)15-7-4-5-12-18-15/h7,13-14,16-17H,2-6,8-12H2,1H3
InChIKeyMROMAQZWZOTPCW-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylcyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649544
2,3-dihydrofuran-5-yl-(4-methylcyclohexyl)methanol
CID 102650662
1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
CID 102646644
(4-butylcyclohexyl)-(4-chlorophenyl)methanol
CID 63426121
(4-butylcyclohexyl)-(3-methylphenyl)methanol
CID 114978020
(4-butylcyclohexyl)-(oxan-4-yl)methanol
CID 115797729
3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanol
CID 102649637
N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647597
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol
CID 115789621
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol
CID 102649744

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The IUPAC name of (4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol (CID 102649753) is (4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol.
What is the SMILES notation for (4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The canonical SMILES for (4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol is CCCCC1CCC(C(O)C2=CCCCO2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The InChIKey is MROMAQZWZOTPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-3-6-13-8-10-14(11-9-13)16(17)15-7-4-5-12-18-15/h7,13-14,16-17H,2-6,8-12H2,1H3.
What are the key properties of (4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol has a molecular weight of 252.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol is sourced from PubChem (CID 102649753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).