2,3-dimethyldodec-1-ene;ethane;ethene

C18H38 — CID 144958915

IUPAC2,3-dimethyldodec-1-ene;ethane;ethene
SMILESC=C.C=C(C)C(C)CCCCCCCCC.CC
InChIInChI=1S/C14H28.C2H6.C2H4/c1-5-6-7-8-9-10-11-12-14(4)13(2)3;2*1-2/h14H,2,5-12H2,1,3-4H3;1-2H3;1-2H2
InChIKeyFRWOWRLJPRMMKI-UHFFFAOYSA-N
MW254.50 g/mol
LogP7.17
Rot. Bonds9

About 2,3-dimethyldodec-1-ene;ethane;ethene

2,3-dimethyldodec-1-ene;ethane;ethene (PubChem CID 144958915) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 2,3-dimethyldodec-1-ene;ethane;ethene.

Molecular Properties

Compound Name2,3-dimethyldodec-1-ene;ethane;ethene
PubChem CID144958915
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name2,3-dimethyldodec-1-ene;ethane;ethene
SMILESC=C.C=C(C)C(C)CCCCCCCCC.CC
InChIInChI=1S/C14H28.C2H6.C2H4/c1-5-6-7-8-9-10-11-12-14(4)13(2)3;2*1-2/h14H,2,5-12H2,1,3-4H3;1-2H3;1-2H2
InChIKeyFRWOWRLJPRMMKI-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 57.17
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

decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
CID 172567112
N,2-dimethyloct-1-en-3-amine;ethane
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4-methyl-3-methylidenedecane
CID 123290966
2,3,4-trimethyltetradec-1-ene
CID 123582556
2,3,8-trimethylnona-1,8-diene
CID 155711646
3-methyloctadecan-2-one
CID 89177698
2,3,4-trimethylhexadec-2-ene
CID 90705633
3-methylundecan-2-one
CID 12634600
3-methyltridecan-2-one
CID 58341645
2,3,7-trimethyloct-1-ene
CID 123245102
3-ethyl-2-methyldodec-1-ene
CID 174845873
ethane;ethene;2-methylhex-1-ene;octane;6-pentylundecane
CID 177138791

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyldodec-1-ene;ethane;ethene?
The IUPAC name of 2,3-dimethyldodec-1-ene;ethane;ethene (CID 144958915) is 2,3-dimethyldodec-1-ene;ethane;ethene.
What is the SMILES notation for 2,3-dimethyldodec-1-ene;ethane;ethene?
The canonical SMILES for 2,3-dimethyldodec-1-ene;ethane;ethene is C=C.C=C(C)C(C)CCCCCCCCC.CC.
What is the InChIKey of 2,3-dimethyldodec-1-ene;ethane;ethene?
The InChIKey is FRWOWRLJPRMMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.C2H6.C2H4/c1-5-6-7-8-9-10-11-12-14(4)13(2)3;2*1-2/h14H,2,5-12H2,1,3-4H3;1-2H3;1-2H2.
What are the key properties of 2,3-dimethyldodec-1-ene;ethane;ethene?
2,3-dimethyldodec-1-ene;ethane;ethene has a molecular weight of 254.50 g/mol, XLogP of 7.17, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyldodec-1-ene;ethane;ethene is sourced from PubChem (CID 144958915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).