2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene

C20H38 — CID 123355574

IUPAC2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene
SMILESC=C(C)CC(C)C(C=CC)C(C)CC(C)CCCCC
InChIInChI=1S/C20H38/c1-8-10-11-13-17(5)15-19(7)20(12-9-2)18(6)14-16(3)4/h9,12,17-20H,3,8,10-11,13-15H2,1-2,4-7H3
InChIKeyUKULMJHJSZYNPV-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.02
Rot. Bonds11

About 2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene

2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene (PubChem CID 123355574) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene.

Molecular Properties

Compound Name2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene
PubChem CID123355574
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene
SMILESC=C(C)CC(C)C(C=CC)C(C)CC(C)CCCCC
InChIInChI=1S/C20H38/c1-8-10-11-13-17(5)15-19(7)20(12-9-2)18(6)14-16(3)4/h9,12,17-20H,3,8,10-11,13-15H2,1-2,4-7H3
InChIKeyUKULMJHJSZYNPV-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.02
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

2,4-dimethylnon-1-ene
CID 55268908
8,10-dimethyl-7-prop-1-en-2-ylhenicosane
CID 59273185
4,5,8-trimethyltridec-2-ene
CID 123839648
4,6-dimethyldec-2-ene
CID 123345769
2,11-dimethylnonadec-1-ene
CID 123484198
3,5-dimethyl-10-methylidenepentadecane
CID 123460821
6,8-dimethylhexadecane
CID 91185725
(4R)-4-methylpentadec-1-en-2-ol
CID 122522386
5-ethyl-2,4-dimethylnon-1-ene
CID 145461999
3,5-dimethylpentacosane
CID 86177199
5-ethyl-2,11-dimethyl-13-propylhexadeca-1,14-diene-6-thiol
CID 167082947
6,10-dimethylpentadecan-8-one
CID 150688801

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene?
The IUPAC name of 2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene (CID 123355574) is 2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene.
What is the SMILES notation for 2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene?
The canonical SMILES for 2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene is C=C(C)CC(C)C(C=CC)C(C)CC(C)CCCCC.
What is the InChIKey of 2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene?
The InChIKey is UKULMJHJSZYNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-8-10-11-13-17(5)15-19(7)20(12-9-2)18(6)14-16(3)4/h9,12,17-20H,3,8,10-11,13-15H2,1-2,4-7H3.
What are the key properties of 2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene?
2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene has a molecular weight of 278.52 g/mol, XLogP of 7.02, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetramethyl-5-prop-1-enyltridec-1-ene is sourced from PubChem (CID 123355574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).