4-ethyl-5-methyldec-2-ene

C13H26 — CID 91156622

IUPAC4-ethyl-5-methyldec-2-ene
SMILESCC=CC(CC)C(C)CCCCC
InChIInChI=1S/C13H26/c1-5-8-9-11-12(4)13(7-3)10-6-2/h6,10,12-13H,5,7-9,11H2,1-4H3
InChIKeyNLJGICTUGMYEJB-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds7

About 4-ethyl-5-methyldec-2-ene

4-ethyl-5-methyldec-2-ene (PubChem CID 91156622) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 4-ethyl-5-methyldec-2-ene.

Molecular Properties

Compound Name4-ethyl-5-methyldec-2-ene
PubChem CID91156622
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name4-ethyl-5-methyldec-2-ene
SMILESCC=CC(CC)C(C)CCCCC
InChIInChI=1S/C13H26/c1-5-8-9-11-12(4)13(7-3)10-6-2/h6,10,12-13H,5,7-9,11H2,1-4H3
InChIKeyNLJGICTUGMYEJB-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-methylicos-2-ene
CID 166512402
6-[(E)-prop-1-enyl]undecane
CID 134941128
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
11,12-dimethyltricosane
CID 173430605
8,9-dimethylhexacosane
CID 160651612
4,5,8-trimethyltridec-2-ene
CID 123839648
5-prop-1-enyltridecane
CID 57064303
9-hexan-2-ylpentadec-7-ene
CID 57270482
4-propan-2-ylhept-2-ene
CID 54114231
3,4-dimethyldecane;ethane
CID 170980289

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyldec-2-ene?
The IUPAC name of 4-ethyl-5-methyldec-2-ene (CID 91156622) is 4-ethyl-5-methyldec-2-ene.
What is the SMILES notation for 4-ethyl-5-methyldec-2-ene?
The canonical SMILES for 4-ethyl-5-methyldec-2-ene is CC=CC(CC)C(C)CCCCC.
What is the InChIKey of 4-ethyl-5-methyldec-2-ene?
The InChIKey is NLJGICTUGMYEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-8-9-11-12(4)13(7-3)10-6-2/h6,10,12-13H,5,7-9,11H2,1-4H3.
What are the key properties of 4-ethyl-5-methyldec-2-ene?
4-ethyl-5-methyldec-2-ene has a molecular weight of 182.35 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyldec-2-ene is sourced from PubChem (CID 91156622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).