4-ethenyl-2,3,5-trimethyloctane

C13H26 — CID 123741658

IUPAC4-ethenyl-2,3,5-trimethyloctane
SMILESC=CC(C(C)CCC)C(C)C(C)C
InChIInChI=1S/C13H26/c1-7-9-11(5)13(8-2)12(6)10(3)4/h8,10-13H,2,7,9H2,1,3-6H3
InChIKeyHBEUFZHLGJUTMS-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.52
Rot. Bonds6

About 4-ethenyl-2,3,5-trimethyloctane

4-ethenyl-2,3,5-trimethyloctane (PubChem CID 123741658) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 4-ethenyl-2,3,5-trimethyloctane.

Molecular Properties

Compound Name4-ethenyl-2,3,5-trimethyloctane
PubChem CID123741658
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name4-ethenyl-2,3,5-trimethyloctane
SMILESC=CC(C(C)CCC)C(C)C(C)C
InChIInChI=1S/C13H26/c1-7-9-11(5)13(8-2)12(6)10(3)4/h8,10-13H,2,7,9H2,1,3-6H3
InChIKeyHBEUFZHLGJUTMS-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 123841596
2,3,4,5,6,7,8,9,10-nonamethyltridecane
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4-ethenyl-3,5-dimethylheptane
CID 90755259
6-ethenyl-2,5,7,8,10-pentamethylheptadecane
CID 123242157
4-ethenyl-2,3,7-trimethylnonane
CID 91411047
5-tert-butyl-4,6-dimethylnonane
CID 91526510
5-ethyl-2,3,4,6-tetramethylnonane
CID 90811278
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
ethane;5-methyloct-1-en-4-ol
CID 142059047
6-butan-2-yl-2,3,4,5,7-pentamethyldecane
CID 123624469
2,3-dimethylhexane;methane;2-methylbutane;2-methylpentane;3-methylpentane
CID 157158834
3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane
CID 153382410

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,3,5-trimethyloctane?
The IUPAC name of 4-ethenyl-2,3,5-trimethyloctane (CID 123741658) is 4-ethenyl-2,3,5-trimethyloctane.
What is the SMILES notation for 4-ethenyl-2,3,5-trimethyloctane?
The canonical SMILES for 4-ethenyl-2,3,5-trimethyloctane is C=CC(C(C)CCC)C(C)C(C)C.
What is the InChIKey of 4-ethenyl-2,3,5-trimethyloctane?
The InChIKey is HBEUFZHLGJUTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-7-9-11(5)13(8-2)12(6)10(3)4/h8,10-13H,2,7,9H2,1,3-6H3.
What are the key properties of 4-ethenyl-2,3,5-trimethyloctane?
4-ethenyl-2,3,5-trimethyloctane has a molecular weight of 182.35 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,3,5-trimethyloctane is sourced from PubChem (CID 123741658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).