1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol

C16H32O2 — CID 116754811

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)C1(OCC)CCC(C)CC1
InChIInChI=1S/C16H32O2/c1-5-7-14(4)12-15(17)16(18-6-2)10-8-13(3)9-11-16/h13-15,17H,5-12H2,1-4H3
InChIKeyJPXCDHHXTZXZCH-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.16
Rot. Bonds7

About 1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol

1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol (PubChem CID 116754811) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol
PubChem CID116754811
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)C1(OCC)CCC(C)CC1
InChIInChI=1S/C16H32O2/c1-5-7-14(4)12-15(17)16(18-6-2)10-8-13(3)9-11-16/h13-15,17H,5-12H2,1-4H3
InChIKeyJPXCDHHXTZXZCH-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol
CID 116754863
1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116754852
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol
CID 116755710
1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-one
CID 116749467
[1-(1-ethoxy-4-methylcyclohexyl)-2-methylpentyl]hydrazine
CID 107895373
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116766990
[1-(1-ethoxy-4-methylcyclohexyl)-3-methylpentyl]hydrazine
CID 105277364
1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
CID 116754485

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol (CID 116754811) is 1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol is CCCC(C)CC(O)C1(OCC)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol?
The InChIKey is JPXCDHHXTZXZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-5-7-14(4)12-15(17)16(18-6-2)10-8-13(3)9-11-16/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol?
1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol is sourced from PubChem (CID 116754811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).