4-ethyl-3-methyldodec-1-ene

C15H30 — CID 145405438

IUPAC4-ethyl-3-methyldodec-1-ene
SMILESC=CC(C)C(CC)CCCCCCCC
InChIInChI=1S/C15H30/c1-5-8-9-10-11-12-13-15(7-3)14(4)6-2/h6,14-15H,2,5,7-13H2,1,3-4H3
InChIKeyZQTCOBGICIHVSF-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.59
Rot. Bonds10

About 4-ethyl-3-methyldodec-1-ene

4-ethyl-3-methyldodec-1-ene (PubChem CID 145405438) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 4-ethyl-3-methyldodec-1-ene.

Molecular Properties

Compound Name4-ethyl-3-methyldodec-1-ene
PubChem CID145405438
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name4-ethyl-3-methyldodec-1-ene
SMILESC=CC(C)C(CC)CCCCCCCC
InChIInChI=1S/C15H30/c1-5-8-9-10-11-12-13-15(7-3)14(4)6-2/h6,14-15H,2,5,7-13H2,1,3-4H3
InChIKeyZQTCOBGICIHVSF-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.59
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

9,10-diethyloctadecane
CID 530164
(3S,4R)-3-methylundec-1-en-4-ol
CID 10986975
19-heptadecan-3-ylnonatriacontane
CID 57212477
5,6-diethyldodecane
CID 90761715
6-ethyl-7-pentyltetradecane
CID 123140274
4-ethyl-3-methylundecane
CID 57279647
8-ethyl-7-methylhexadecane
CID 56974440
5-butyl-6-ethyldodecane
CID 529932
4-butan-2-ylheptadec-1-ene
CID 19792906
(3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol
CID 24854557
4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine
CID 90866209
9,10-dioctylhexacosane
CID 21470284

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyldodec-1-ene?
The IUPAC name of 4-ethyl-3-methyldodec-1-ene (CID 145405438) is 4-ethyl-3-methyldodec-1-ene.
What is the SMILES notation for 4-ethyl-3-methyldodec-1-ene?
The canonical SMILES for 4-ethyl-3-methyldodec-1-ene is C=CC(C)C(CC)CCCCCCCC.
What is the InChIKey of 4-ethyl-3-methyldodec-1-ene?
The InChIKey is ZQTCOBGICIHVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-5-8-9-10-11-12-13-15(7-3)14(4)6-2/h6,14-15H,2,5,7-13H2,1,3-4H3.
What are the key properties of 4-ethyl-3-methyldodec-1-ene?
4-ethyl-3-methyldodec-1-ene has a molecular weight of 210.40 g/mol, XLogP of 5.59, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyldodec-1-ene is sourced from PubChem (CID 145405438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).