1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene

C19H28 — CID 143472891

IUPAC1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene
SMILESCC/C=C(C)\C=C/CC(C)C1=CC(C)=CCC(C)=C1
InChIInChI=1S/C19H28/c1-6-8-15(2)9-7-10-18(5)19-13-16(3)11-12-17(4)14-19/h7-9,11,13-14,18H,6,10,12H2,1-5H3/b9-7-,15-8-
InChIKeyBGBZTCZLWMLULU-UPNNYWQPSA-N
MW256.43 g/mol
LogP6.15
Rot. Bonds5

About 1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene

1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene (PubChem CID 143472891) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene
PubChem CID143472891
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene
SMILESCC/C=C(C)\C=C/CC(C)C1=CC(C)=CCC(C)=C1
InChIInChI=1S/C19H28/c1-6-8-15(2)9-7-10-18(5)19-13-16(3)11-12-17(4)14-19/h7-9,11,13-14,18H,6,10,12H2,1-5H3/b9-7-,15-8-
InChIKeyBGBZTCZLWMLULU-UPNNYWQPSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene?
The IUPAC name of 1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene (CID 143472891) is 1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene.
What is the SMILES notation for 1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene?
The canonical SMILES for 1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene is CC/C=C(C)\C=C/CC(C)C1=CC(C)=CCC(C)=C1.
What is the InChIKey of 1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene?
The InChIKey is BGBZTCZLWMLULU-UPNNYWQPSA-N. The full InChI is InChI=1S/C19H28/c1-6-8-15(2)9-7-10-18(5)19-13-16(3)11-12-17(4)14-19/h7-9,11,13-14,18H,6,10,12H2,1-5H3/b9-7-,15-8-.
What are the key properties of 1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene?
1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene has a molecular weight of 256.43 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[(4Z,6Z)-6-methylnona-4,6-dien-2-yl]cyclohepta-1,3,5-triene is sourced from PubChem (CID 143472891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).