3-ethyl-2,3,5-trimethyl-4-methylideneheptane

C13H26 — CID 123873346

IUPAC3-ethyl-2,3,5-trimethyl-4-methylideneheptane
SMILESC=C(C(C)CC)C(C)(CC)C(C)C
InChIInChI=1S/C13H26/c1-8-11(5)12(6)13(7,9-2)10(3)4/h10-11H,6,8-9H2,1-5,7H3
InChIKeyPSCZPYYJPJCRRR-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.66
Rot. Bonds5

About 3-ethyl-2,3,5-trimethyl-4-methylideneheptane

3-ethyl-2,3,5-trimethyl-4-methylideneheptane (PubChem CID 123873346) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 3-ethyl-2,3,5-trimethyl-4-methylideneheptane.

Molecular Properties

Compound Name3-ethyl-2,3,5-trimethyl-4-methylideneheptane
PubChem CID123873346
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name3-ethyl-2,3,5-trimethyl-4-methylideneheptane
SMILESC=C(C(C)CC)C(C)(CC)C(C)C
InChIInChI=1S/C13H26/c1-8-11(5)12(6)13(7,9-2)10(3)4/h10-11H,6,8-9H2,1-5,7H3
InChIKeyPSCZPYYJPJCRRR-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.66
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

2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane
CID 137446349
toluene;2,2,4-trimethyl-3-methylidenehexane
CID 143153618
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene
CID 158024808
(3R)-3-methylpent-1-en-2-ol
CID 89203555
methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887
2,4-dimethyl-3-methylidenehexane
CID 90734956
2,3-dimethylpent-1-ene;ethane
CID 143286891
propan-2-yl 2-ethyl-2,3-dimethylbutanoate
CID 87568455
N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine
CID 155468081
1-(butan-2-ylamino)-3-ethyl-3,4-dimethylpentan-2-one
CID 118265066
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
3-ethyl-2-hydroperoxy-3-methylpentane
CID 90139339

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3,5-trimethyl-4-methylideneheptane?
The IUPAC name of 3-ethyl-2,3,5-trimethyl-4-methylideneheptane (CID 123873346) is 3-ethyl-2,3,5-trimethyl-4-methylideneheptane.
What is the SMILES notation for 3-ethyl-2,3,5-trimethyl-4-methylideneheptane?
The canonical SMILES for 3-ethyl-2,3,5-trimethyl-4-methylideneheptane is C=C(C(C)CC)C(C)(CC)C(C)C.
What is the InChIKey of 3-ethyl-2,3,5-trimethyl-4-methylideneheptane?
The InChIKey is PSCZPYYJPJCRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-8-11(5)12(6)13(7,9-2)10(3)4/h10-11H,6,8-9H2,1-5,7H3.
What are the key properties of 3-ethyl-2,3,5-trimethyl-4-methylideneheptane?
3-ethyl-2,3,5-trimethyl-4-methylideneheptane has a molecular weight of 182.35 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3,5-trimethyl-4-methylideneheptane is sourced from PubChem (CID 123873346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).