(1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene

C20H30 — CID 14336537

IUPAC(1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
SMILESC=C1/C=C/C(C(C)C)=C\C/C(C)=C/CC/C(C)=C\CC1
InChIInChI=1S/C20H30/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14-16H,4,6-7,9-10,13H2,1-3,5H3/b14-12+,17-8-,19-11+,20-15+
InChIKeyTZYVOXDJSUJBRO-OORTZSOMSA-N
MW270.46 g/mol
LogP6.54
Rot. Bonds1

About (1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene

(1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene (PubChem CID 14336537) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is (1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene.

Molecular Properties

Compound Name(1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
PubChem CID14336537
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name(1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
SMILESC=C1/C=C/C(C(C)C)=C\C/C(C)=C/CC/C(C)=C\CC1
InChIInChI=1S/C20H30/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14-16H,4,6-7,9-10,13H2,1-3,5H3/b14-12+,17-8-,19-11+,20-15+
InChIKeyTZYVOXDJSUJBRO-OORTZSOMSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.54
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 (1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene?
The IUPAC name of (1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene (CID 14336537) is (1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene.
What is the SMILES notation for (1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene?
The canonical SMILES for (1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene is C=C1/C=C/C(C(C)C)=C\C/C(C)=C/CC/C(C)=C\CC1.
What is the InChIKey of (1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene?
The InChIKey is TZYVOXDJSUJBRO-OORTZSOMSA-N. The full InChI is InChI=1S/C20H30/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14-16H,4,6-7,9-10,13H2,1-3,5H3/b14-12+,17-8-,19-11+,20-15+.
What are the key properties of (1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene?
(1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene has a molecular weight of 270.46 g/mol, XLogP of 6.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene is sourced from PubChem (CID 14336537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).