(E)-3,4-dimethylicos-3-ene

C22H44 — CID 173263978

IUPAC(E)-3,4-dimethylicos-3-ene
SMILESCCCCCCCCCCCCCCCC/C(C)=C(\C)CC
InChIInChI=1S/C22H44/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(4)21(3)6-2/h5-20H2,1-4H3/b22-21+
InChIKeyUHAQRTBFOHUACH-QURGRASLSA-N
MW308.59 g/mol
LogP8.60
Rot. Bonds16

About (E)-3,4-dimethylicos-3-ene

(E)-3,4-dimethylicos-3-ene (PubChem CID 173263978) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is (E)-3,4-dimethylicos-3-ene.

Molecular Properties

Compound Name(E)-3,4-dimethylicos-3-ene
PubChem CID173263978
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name(E)-3,4-dimethylicos-3-ene
SMILESCCCCCCCCCCCCCCCC/C(C)=C(\C)CC
InChIInChI=1S/C22H44/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(4)21(3)6-2/h5-20H2,1-4H3/b22-21+
InChIKeyUHAQRTBFOHUACH-QURGRASLSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.60
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

8,9-dimethylhexadec-8-ene
CID 140717938
2,3-dimethyltridec-2-ene
CID 22376033
2-butan-2-ylideneoctanoic acid
CID 173391437
3-methyloctadec-2-en-2-amine
CID 87741791
10-methyl-9-propylicos-9-ene
CID 57290137
(Z)-10-methyl-9-propylicos-9-ene
CID 18601799
3,4-dimethyltetradec-3-enoic acid
CID 141356263
3-methylidenedecane
CID 21453024
(Z)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
2,3-dimethyldec-2-enoic acid
CID 79729162
CID 161216038
CID 161216038
CID 172851421
CID 172851421

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-dimethylicos-3-ene?
The IUPAC name of (E)-3,4-dimethylicos-3-ene (CID 173263978) is (E)-3,4-dimethylicos-3-ene.
What is the SMILES notation for (E)-3,4-dimethylicos-3-ene?
The canonical SMILES for (E)-3,4-dimethylicos-3-ene is CCCCCCCCCCCCCCCC/C(C)=C(\C)CC.
What is the InChIKey of (E)-3,4-dimethylicos-3-ene?
The InChIKey is UHAQRTBFOHUACH-QURGRASLSA-N. The full InChI is InChI=1S/C22H44/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(4)21(3)6-2/h5-20H2,1-4H3/b22-21+.
What are the key properties of (E)-3,4-dimethylicos-3-ene?
(E)-3,4-dimethylicos-3-ene has a molecular weight of 308.59 g/mol, XLogP of 8.60, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethylicos-3-ene is sourced from PubChem (CID 173263978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).