3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol

C13H26O2 — CID 105103746

IUPAC3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol
SMILESCCOCCC(O)C1CCC(CC)CC1
InChIInChI=1S/C13H26O2/c1-3-11-5-7-12(8-6-11)13(14)9-10-15-4-2/h11-14H,3-10H2,1-2H3
InChIKeyVOEPLQQGDVRGMR-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds6

About 3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol

3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol (PubChem CID 105103746) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol
PubChem CID105103746
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol
SMILESCCOCCC(O)C1CCC(CC)CC1
InChIInChI=1S/C13H26O2/c1-3-11-5-7-12(8-6-11)13(14)9-10-15-4-2/h11-14H,3-10H2,1-2H3
InChIKeyVOEPLQQGDVRGMR-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

Menthol
CID 1254
(-)-Menthol
CID 16666
(+)-Neomenthol
CID 439263
(+)-Menthol
CID 165675
P-Menthane-3,8-diol
CID 556998
Isomenthol, (+)-
CID 45056
Neoisomenthol
CID 19244
Menthoglycol
CID 19100
Isomenthol
CID 6432468
(-)-Neomenthol
CID 6566020
(+-)-Neoisomenthol
CID 1715097
2-Methyl-5-(propan-2-yl)cyclohexan-1-ol
CID 86850

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol?
The IUPAC name of 3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol (CID 105103746) is 3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol.
What is the SMILES notation for 3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol?
The canonical SMILES for 3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol is CCOCCC(O)C1CCC(CC)CC1.
What is the InChIKey of 3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol?
The InChIKey is VOEPLQQGDVRGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-11-5-7-12(8-6-11)13(14)9-10-15-4-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol?
3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol is sourced from PubChem (CID 105103746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).