1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol

C13H26O2 — CID 116755188

IUPAC1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
SMILESCCCC(O)C1(OCC)CCCC(C)C1
InChIInChI=1S/C13H26O2/c1-4-7-12(14)13(15-5-2)9-6-8-11(3)10-13/h11-12,14H,4-10H2,1-3H3
InChIKeyITFIBBRBZGHJLM-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.13
Rot. Bonds5

About 1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol

1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol (PubChem CID 116755188) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
PubChem CID116755188
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
SMILESCCCC(O)C1(OCC)CCCC(C)C1
InChIInChI=1S/C13H26O2/c1-4-7-12(14)13(15-5-2)9-6-8-11(3)10-13/h11-12,14H,4-10H2,1-3H3
InChIKeyITFIBBRBZGHJLM-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755222
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
CID 116755271
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116779678
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol (CID 116755188) is 1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol is CCCC(O)C1(OCC)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol?
The InChIKey is ITFIBBRBZGHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-7-12(14)13(15-5-2)9-6-8-11(3)10-13/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol?
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol is sourced from PubChem (CID 116755188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).