1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane

C19H32 — CID 123965976

IUPAC1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane
SMILESC=CCC1CCC(=C)CCC(C)CCCC(C=C)C1
InChIInChI=1S/C19H32/c1-5-8-19-14-13-17(4)12-11-16(3)9-7-10-18(6-2)15-19/h5-6,16,18-19H,1-2,4,7-15H2,3H3
InChIKeyGWVMVFRRXHANLG-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.31
Rot. Bonds3

About 1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane

1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane (PubChem CID 123965976) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane.

Molecular Properties

Compound Name1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane
PubChem CID123965976
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane
SMILESC=CCC1CCC(=C)CCC(C)CCCC(C=C)C1
InChIInChI=1S/C19H32/c1-5-8-19-14-13-17(4)12-11-16(3)9-7-10-18(6-2)15-19/h5-6,16,18-19H,1-2,4,7-15H2,3H3
InChIKeyGWVMVFRRXHANLG-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.31
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 1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane?
The IUPAC name of 1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane (CID 123965976) is 1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane.
What is the SMILES notation for 1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane?
The canonical SMILES for 1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane is C=CCC1CCC(=C)CCC(C)CCCC(C=C)C1.
What is the InChIKey of 1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane?
The InChIKey is GWVMVFRRXHANLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-5-8-19-14-13-17(4)12-11-16(3)9-7-10-18(6-2)15-19/h5-6,16,18-19H,1-2,4,7-15H2,3H3.
What are the key properties of 1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane?
1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane has a molecular weight of 260.46 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane is sourced from PubChem (CID 123965976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).