[(3E,7Z)-deca-3,7-dien-2-yl]benzene

C16H22 — CID 123551652

IUPAC[(3E,7Z)-deca-3,7-dien-2-yl]benzene
SMILESCC/C=C\CC/C=C/C(C)c1ccccc1
InChIInChI=1S/C16H22/c1-3-4-5-6-7-9-12-15(2)16-13-10-8-11-14-16/h4-5,8-15H,3,6-7H2,1-2H3/b5-4-,12-9+
InChIKeyYWYRKPXRDSLUQF-KVWUJKKISA-N
MW214.35 g/mol
LogP5.09
Rot. Bonds6

About [(3E,7Z)-deca-3,7-dien-2-yl]benzene

[(3E,7Z)-deca-3,7-dien-2-yl]benzene (PubChem CID 123551652) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is [(3E,7Z)-deca-3,7-dien-2-yl]benzene.

Molecular Properties

Compound Name[(3E,7Z)-deca-3,7-dien-2-yl]benzene
PubChem CID123551652
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name[(3E,7Z)-deca-3,7-dien-2-yl]benzene
SMILESCC/C=C\CC/C=C/C(C)c1ccccc1
InChIInChI=1S/C16H22/c1-3-4-5-6-7-9-12-15(2)16-13-10-8-11-14-16/h4-5,8-15H,3,6-7H2,1-2H3/b5-4-,12-9+
InChIKeyYWYRKPXRDSLUQF-KVWUJKKISA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E,7Z)-deca-3,7-dien-2-yl]benzene?
The IUPAC name of [(3E,7Z)-deca-3,7-dien-2-yl]benzene (CID 123551652) is [(3E,7Z)-deca-3,7-dien-2-yl]benzene.
What is the SMILES notation for [(3E,7Z)-deca-3,7-dien-2-yl]benzene?
The canonical SMILES for [(3E,7Z)-deca-3,7-dien-2-yl]benzene is CC/C=C\CC/C=C/C(C)c1ccccc1.
What is the InChIKey of [(3E,7Z)-deca-3,7-dien-2-yl]benzene?
The InChIKey is YWYRKPXRDSLUQF-KVWUJKKISA-N. The full InChI is InChI=1S/C16H22/c1-3-4-5-6-7-9-12-15(2)16-13-10-8-11-14-16/h4-5,8-15H,3,6-7H2,1-2H3/b5-4-,12-9+.
What are the key properties of [(3E,7Z)-deca-3,7-dien-2-yl]benzene?
[(3E,7Z)-deca-3,7-dien-2-yl]benzene has a molecular weight of 214.35 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,7Z)-deca-3,7-dien-2-yl]benzene is sourced from PubChem (CID 123551652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).