[(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane

C20H38 — CID 143369084

IUPAC[(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane
SMILESCCC(C)CC(C)CCC(C)CC(C)/C=C/CC1CC1
InChIInChI=1S/C20H38/c1-6-16(2)14-18(4)10-11-19(5)15-17(3)8-7-9-20-12-13-20/h7-8,16-20H,6,9-15H2,1-5H3/b8-7+
InChIKeyWLDACKBGURDFNI-BQYQJAHWSA-N
MW278.52 g/mol
LogP6.86
Rot. Bonds11

About [(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane

[(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane (PubChem CID 143369084) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is [(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane.

Molecular Properties

Compound Name[(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane
PubChem CID143369084
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name[(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane
SMILESCCC(C)CC(C)CCC(C)CC(C)/C=C/CC1CC1
InChIInChI=1S/C20H38/c1-6-16(2)14-18(4)10-11-19(5)15-17(3)8-7-9-20-12-13-20/h7-8,16-20H,6,9-15H2,1-5H3/b8-7+
InChIKeyWLDACKBGURDFNI-BQYQJAHWSA-N
XLogP6.86
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 ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane?
The IUPAC name of [(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane (CID 143369084) is [(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane.
What is the SMILES notation for [(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane?
The canonical SMILES for [(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane is CCC(C)CC(C)CCC(C)CC(C)/C=C/CC1CC1.
What is the InChIKey of [(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane?
The InChIKey is WLDACKBGURDFNI-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H38/c1-6-16(2)14-18(4)10-11-19(5)15-17(3)8-7-9-20-12-13-20/h7-8,16-20H,6,9-15H2,1-5H3/b8-7+.
What are the key properties of [(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane?
[(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane has a molecular weight of 278.52 g/mol, XLogP of 6.86, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,6,9,11-tetramethyltridec-2-enyl]cyclopropane is sourced from PubChem (CID 143369084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).