2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene

C19H24 — CID 135048607

IUPAC2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene
SMILESC#C/C=C/C=C/C=C/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C19H24/c1-5-6-7-8-9-10-11-12-15-18-17(2)14-13-16-19(18,3)4/h1,6-12,15H,13-14,16H2,2-4H3/b7-6+,9-8+,11-10+,15-12+
InChIKeyOHZOZLRELPDPNR-SNTRLGAYSA-N
MW252.40 g/mol
LogP5.37
Rot. Bonds4

About 2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene

2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene (PubChem CID 135048607) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene
PubChem CID135048607
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene
SMILESC#C/C=C/C=C/C=C/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C19H24/c1-5-6-7-8-9-10-11-12-15-18-17(2)14-13-16-19(18,3)4/h1,6-12,15H,13-14,16H2,2-4H3/b7-6+,9-8+,11-10+,15-12+
InChIKeyOHZOZLRELPDPNR-SNTRLGAYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene?
The IUPAC name of 2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene (CID 135048607) is 2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene?
The canonical SMILES for 2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene is C#C/C=C/C=C/C=C/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of 2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene?
The InChIKey is OHZOZLRELPDPNR-SNTRLGAYSA-N. The full InChI is InChI=1S/C19H24/c1-5-6-7-8-9-10-11-12-15-18-17(2)14-13-16-19(18,3)4/h1,6-12,15H,13-14,16H2,2-4H3/b7-6+,9-8+,11-10+,15-12+.
What are the key properties of 2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene?
2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene has a molecular weight of 252.40 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraen-9-ynyl]-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 135048607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).