[4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol

C17H34O2 — CID 103017857

IUPAC[4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(CCC(C)(C)OC)CC1
InChIInChI=1S/C17H34O2/c1-5-6-7-15-8-10-17(14-18,11-9-15)13-12-16(2,3)19-4/h15,18H,5-14H2,1-4H3
InChIKeyQWNMWJRJNAHCHE-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.55
Rot. Bonds8

About [4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol

[4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol (PubChem CID 103017857) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is [4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol
PubChem CID103017857
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name[4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(CCC(C)(C)OC)CC1
InChIInChI=1S/C17H34O2/c1-5-6-7-15-8-10-17(14-18,11-9-15)13-12-16(2,3)19-4/h15,18H,5-14H2,1-4H3
InChIKeyQWNMWJRJNAHCHE-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol?
The IUPAC name of [4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol (CID 103017857) is [4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol.
What is the SMILES notation for [4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol?
The canonical SMILES for [4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol is CCCCC1CCC(CO)(CCC(C)(C)OC)CC1.
What is the InChIKey of [4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol?
The InChIKey is QWNMWJRJNAHCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-5-6-7-15-8-10-17(14-18,11-9-15)13-12-16(2,3)19-4/h15,18H,5-14H2,1-4H3.
What are the key properties of [4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol?
[4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol has a molecular weight of 270.46 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-1-(3-methoxy-3-methylbutyl)cyclohexyl]methanol is sourced from PubChem (CID 103017857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).