3-ethenyl-3,4,4,5-tetramethyldodec-1-ene

C18H34 — CID 151006143

IUPAC3-ethenyl-3,4,4,5-tetramethyldodec-1-ene
SMILESC=CC(C)(C=C)C(C)(C)C(C)CCCCCCC
InChIInChI=1S/C18H34/c1-8-11-12-13-14-15-16(4)17(5,6)18(7,9-2)10-3/h9-10,16H,2-3,8,11-15H2,1,4-7H3
InChIKeyLVCUBHLEMLVJHI-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.39
Rot. Bonds10

About 3-ethenyl-3,4,4,5-tetramethyldodec-1-ene

3-ethenyl-3,4,4,5-tetramethyldodec-1-ene (PubChem CID 151006143) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 3-ethenyl-3,4,4,5-tetramethyldodec-1-ene.

Molecular Properties

Compound Name3-ethenyl-3,4,4,5-tetramethyldodec-1-ene
PubChem CID151006143
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name3-ethenyl-3,4,4,5-tetramethyldodec-1-ene
SMILESC=CC(C)(C=C)C(C)(C)C(C)CCCCCCC
InChIInChI=1S/C18H34/c1-8-11-12-13-14-15-16(4)17(5,6)18(7,9-2)10-3/h9-10,16H,2-3,8,11-15H2,1,4-7H3
InChIKeyLVCUBHLEMLVJHI-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.39
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

3-chloro-3,4-dimethyldodec-1-ene
CID 150187034
2,2,3-trimethylundecane
CID 21285055
2,3-dimethyltridecane-2-thiol
CID 175066611
2-chloro-2,3-dimethylnonane
CID 87897655
2,3-dimethylhexadecan-2-amine
CID 87479269
2,3,3,4-tetramethylnonadecane
CID 174953704
2-chloro-2,3-dimethyltridecane
CID 87222996
2-iodo-2,3-dimethylnonane
CID 157257011
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
3-methylheptadecane-2,2-diamine
CID 141040528
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
CID 18444100

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3,4,4,5-tetramethyldodec-1-ene?
The IUPAC name of 3-ethenyl-3,4,4,5-tetramethyldodec-1-ene (CID 151006143) is 3-ethenyl-3,4,4,5-tetramethyldodec-1-ene.
What is the SMILES notation for 3-ethenyl-3,4,4,5-tetramethyldodec-1-ene?
The canonical SMILES for 3-ethenyl-3,4,4,5-tetramethyldodec-1-ene is C=CC(C)(C=C)C(C)(C)C(C)CCCCCCC.
What is the InChIKey of 3-ethenyl-3,4,4,5-tetramethyldodec-1-ene?
The InChIKey is LVCUBHLEMLVJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-8-11-12-13-14-15-16(4)17(5,6)18(7,9-2)10-3/h9-10,16H,2-3,8,11-15H2,1,4-7H3.
What are the key properties of 3-ethenyl-3,4,4,5-tetramethyldodec-1-ene?
3-ethenyl-3,4,4,5-tetramethyldodec-1-ene has a molecular weight of 250.47 g/mol, XLogP of 6.39, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,4,4,5-tetramethyldodec-1-ene is sourced from PubChem (CID 151006143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).