2,4,4-trimethyldodec-1-ene

C15H30 — CID 71418665

IUPAC2,4,4-trimethyldodec-1-ene
SMILESC=C(C)CC(C)(C)CCCCCCCC
InChIInChI=1S/C15H30/c1-6-7-8-9-10-11-12-15(4,5)13-14(2)3/h2,6-13H2,1,3-5H3
InChIKeyHKWOLAMEUOTWGZ-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.73
Rot. Bonds9

About 2,4,4-trimethyldodec-1-ene

2,4,4-trimethyldodec-1-ene (PubChem CID 71418665) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 2,4,4-trimethyldodec-1-ene.

Molecular Properties

Compound Name2,4,4-trimethyldodec-1-ene
PubChem CID71418665
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name2,4,4-trimethyldodec-1-ene
SMILESC=C(C)CC(C)(C)CCCCCCCC
InChIInChI=1S/C15H30/c1-6-7-8-9-10-11-12-15(4,5)13-14(2)3/h2,6-13H2,1,3-5H3
InChIKeyHKWOLAMEUOTWGZ-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.73
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

Heptane, 2,2,6,6-tetramethyl-4-methylene-
CID 67334
(+-)-N,N-Dimethyl menthyl succinamide
CID 544714
Cyclohexane, 1-(1,1-dimethylethyl)-4-methylene-
CID 139425
2,4,4-Trimethyl-1-hexene
CID 142817
2,4,4,6,6-Pentamethyl-1-heptene
CID 84164
2,6-Dimethyl-1-octene
CID 522308
2,4,6-Trimethyl-1-nonene
CID 536118
2,4,6,8-Tetramethyl-1-undecene
CID 536235
2,4,4,6,6,8,8-Heptamethyl-1-nonene
CID 545785
Nonane, 2-methyl-3-methylene-
CID 549980
1-Heptene, 2-isohexyl-6-methyl-
CID 580972
1,1-Dimethyl-4-methylidenecyclohexane
CID 572964

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyldodec-1-ene?
The IUPAC name of 2,4,4-trimethyldodec-1-ene (CID 71418665) is 2,4,4-trimethyldodec-1-ene.
What is the SMILES notation for 2,4,4-trimethyldodec-1-ene?
The canonical SMILES for 2,4,4-trimethyldodec-1-ene is C=C(C)CC(C)(C)CCCCCCCC.
What is the InChIKey of 2,4,4-trimethyldodec-1-ene?
The InChIKey is HKWOLAMEUOTWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-7-8-9-10-11-12-15(4,5)13-14(2)3/h2,6-13H2,1,3-5H3.
What are the key properties of 2,4,4-trimethyldodec-1-ene?
2,4,4-trimethyldodec-1-ene has a molecular weight of 210.40 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyldodec-1-ene is sourced from PubChem (CID 71418665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).