2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol

C14H30O2 — CID 54430166

IUPAC2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol
SMILESCCCCC(CC)C(O)OC(C)(CC)CC
InChIInChI=1S/C14H30O2/c1-6-10-11-12(7-2)13(15)16-14(5,8-3)9-4/h12-13,15H,6-11H2,1-5H3
InChIKeyCJDFGOUHHOUDKZ-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.12
Rot. Bonds9

About 2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol

2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol (PubChem CID 54430166) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol
PubChem CID54430166
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol
SMILESCCCCC(CC)C(O)OC(C)(CC)CC
InChIInChI=1S/C14H30O2/c1-6-10-11-12(7-2)13(15)16-14(5,8-3)9-4/h12-13,15H,6-11H2,1-5H3
InChIKeyCJDFGOUHHOUDKZ-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol?
The IUPAC name of 2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol (CID 54430166) is 2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol.
What is the SMILES notation for 2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol?
The canonical SMILES for 2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol is CCCCC(CC)C(O)OC(C)(CC)CC.
What is the InChIKey of 2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol?
The InChIKey is CJDFGOUHHOUDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-6-10-11-12(7-2)13(15)16-14(5,8-3)9-4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol?
2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol has a molecular weight of 230.39 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methylpentan-3-yloxy)hexan-1-ol is sourced from PubChem (CID 54430166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).