1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol

C13H26O2 — CID 116755202

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
SMILESCCOC1(C(O)C(C)C)CCCC(C)C1
InChIInChI=1S/C13H26O2/c1-5-15-13(12(14)10(2)3)8-6-7-11(4)9-13/h10-12,14H,5-9H2,1-4H3
InChIKeyXOHWXDPXDSQCHH-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds4

About 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol

1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol (PubChem CID 116755202) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
PubChem CID116755202
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
SMILESCCOC1(C(O)C(C)C)CCCC(C)C1
InChIInChI=1S/C13H26O2/c1-5-15-13(12(14)10(2)3)8-6-7-11(4)9-13/h10-12,14H,5-9H2,1-4H3
InChIKeyXOHWXDPXDSQCHH-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116754943
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
2-cyclohexyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755222
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
CID 116768285
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
CID 116755271
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol (CID 116755202) is 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol is CCOC1(C(O)C(C)C)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol?
The InChIKey is XOHWXDPXDSQCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-15-13(12(14)10(2)3)8-6-7-11(4)9-13/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol?
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 4 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)-2-methylpropan-1-ol is sourced from PubChem (CID 116755202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).