3-ethyl-4-methyldec-4-en-1-ol

C26H52O2 — CID 135156611

IUPAC3-ethyl-4-methyldec-4-en-1-ol
SMILESCCCCCC=C(C)C(CC)CCO.CCCCCC=C(C)C(CC)CCO
InChIInChI=1S/2C13H26O/c2*1-4-6-7-8-9-12(3)13(5-2)10-11-14/h2*9,13-14H,4-8,10-11H2,1-3H3
InChIKeyYIWSEADNAOJQQI-UHFFFAOYSA-N
MW396.70 g/mol
LogP7.84
Rot. Bonds16

About 3-ethyl-4-methyldec-4-en-1-ol

3-ethyl-4-methyldec-4-en-1-ol (PubChem CID 135156611) has the molecular formula C26H52O2 and a molecular weight of 396.70 g/mol. Its IUPAC name is 3-ethyl-4-methyldec-4-en-1-ol.

Molecular Properties

Compound Name3-ethyl-4-methyldec-4-en-1-ol
PubChem CID135156611
Molecular FormulaC26H52O2
Molecular Weight396.70 g/mol
Exact Mass396.40
IUPAC Name3-ethyl-4-methyldec-4-en-1-ol
SMILESCCCCCC=C(C)C(CC)CCO.CCCCCC=C(C)C(CC)CCO
InChIInChI=1S/2C13H26O/c2*1-4-6-7-8-9-12(3)13(5-2)10-11-14/h2*9,13-14H,4-8,10-11H2,1-3H3
InChIKeyYIWSEADNAOJQQI-UHFFFAOYSA-N
XLogP7.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyldec-4-en-1-ol?
The IUPAC name of 3-ethyl-4-methyldec-4-en-1-ol (CID 135156611) is 3-ethyl-4-methyldec-4-en-1-ol.
What is the SMILES notation for 3-ethyl-4-methyldec-4-en-1-ol?
The canonical SMILES for 3-ethyl-4-methyldec-4-en-1-ol is CCCCCC=C(C)C(CC)CCO.CCCCCC=C(C)C(CC)CCO.
What is the InChIKey of 3-ethyl-4-methyldec-4-en-1-ol?
The InChIKey is YIWSEADNAOJQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H26O/c2*1-4-6-7-8-9-12(3)13(5-2)10-11-14/h2*9,13-14H,4-8,10-11H2,1-3H3.
What are the key properties of 3-ethyl-4-methyldec-4-en-1-ol?
3-ethyl-4-methyldec-4-en-1-ol has a molecular weight of 396.70 g/mol, XLogP of 7.84, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyldec-4-en-1-ol is sourced from PubChem (CID 135156611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).