1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol

C14H28O2 — CID 105100161

IUPAC1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol
SMILESCCC1CCCCC1C(O)CCC(C)OC
InChIInChI=1S/C14H28O2/c1-4-12-7-5-6-8-13(12)14(15)10-9-11(2)16-3/h11-15H,4-10H2,1-3H3
InChIKeyWSCWZOFWYDKOKQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds6

About 1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol

1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol (PubChem CID 105100161) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol
PubChem CID105100161
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol
SMILESCCC1CCCCC1C(O)CCC(C)OC
InChIInChI=1S/C14H28O2/c1-4-12-7-5-6-8-13(12)14(15)10-9-11(2)16-3/h11-15H,4-10H2,1-3H3
InChIKeyWSCWZOFWYDKOKQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol (CID 105100161) is 1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol is CCC1CCCCC1C(O)CCC(C)OC.
What is the InChIKey of 1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol?
The InChIKey is WSCWZOFWYDKOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-12-7-5-6-8-13(12)14(15)10-9-11(2)16-3/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol?
1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-4-methoxypentan-1-ol is sourced from PubChem (CID 105100161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).