3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol

C12H24O2 — CID 114852220

IUPAC3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol
SMILESCCC1CCCC(O)(CCCOC)C1
InChIInChI=1S/C12H24O2/c1-3-11-6-4-7-12(13,10-11)8-5-9-14-2/h11,13H,3-10H2,1-2H3
InChIKeyRXHCHSRULOFWHY-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds5

About 3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol

3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol (PubChem CID 114852220) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol
PubChem CID114852220
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol
SMILESCCC1CCCC(O)(CCCOC)C1
InChIInChI=1S/C12H24O2/c1-3-11-6-4-7-12(13,10-11)8-5-9-14-2/h11,13H,3-10H2,1-2H3
InChIKeyRXHCHSRULOFWHY-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopentylmethyl)-3-ethylcyclohexan-1-ol
CID 65149112
3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65149276
2-(3-hydroxy-3-pentylcyclohexyl)acetic acid
CID 70610596
3-methoxy-1-nonylcyclohexan-1-ol
CID 106873856
1-ethyl-4-(3-methoxypropyl)azepan-4-ol
CID 114852274
3-(3-methoxypropyl)-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171952719
[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
CID 104568544
3-(4-methoxybutyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171952054
1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol
CID 103564186
4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol
CID 82713966
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006277
3-ethyl-1-(3-methylbutyl)cyclopentan-1-ol
CID 65154263

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol?
The IUPAC name of 3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol (CID 114852220) is 3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol.
What is the SMILES notation for 3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol?
The canonical SMILES for 3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol is CCC1CCCC(O)(CCCOC)C1.
What is the InChIKey of 3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol?
The InChIKey is RXHCHSRULOFWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-11-6-4-7-12(13,10-11)8-5-9-14-2/h11,13H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol?
3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol is sourced from PubChem (CID 114852220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).