2-hex-5-enyl-7-pent-4-enylphenanthrene

C25H28 — CID 139836992

IUPAC2-hex-5-enyl-7-pent-4-enylphenanthrene
SMILESC=CCCCCc1ccc2c(ccc3cc(CCCC=C)ccc32)c1
InChIInChI=1S/C25H28/c1-3-5-7-9-11-21-13-17-25-23(19-21)15-14-22-18-20(10-8-6-4-2)12-16-24(22)25/h3-4,12-19H,1-2,5-11H2
InChIKeyVZVBKEJEBVXIKW-UHFFFAOYSA-N
MW328.50 g/mol
LogP7.40
Rot. Bonds9

About 2-hex-5-enyl-7-pent-4-enylphenanthrene

2-hex-5-enyl-7-pent-4-enylphenanthrene (PubChem CID 139836992) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-hex-5-enyl-7-pent-4-enylphenanthrene.

Molecular Properties

Compound Name2-hex-5-enyl-7-pent-4-enylphenanthrene
PubChem CID139836992
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name2-hex-5-enyl-7-pent-4-enylphenanthrene
SMILESC=CCCCCc1ccc2c(ccc3cc(CCCC=C)ccc32)c1
InChIInChI=1S/C25H28/c1-3-5-7-9-11-21-13-17-25-23(19-21)15-14-22-18-20(10-8-6-4-2)12-16-24(22)25/h3-4,12-19H,1-2,5-11H2
InChIKeyVZVBKEJEBVXIKW-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 57.40
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enyl-7-pent-4-enylphenanthrene?
The IUPAC name of 2-hex-5-enyl-7-pent-4-enylphenanthrene (CID 139836992) is 2-hex-5-enyl-7-pent-4-enylphenanthrene.
What is the SMILES notation for 2-hex-5-enyl-7-pent-4-enylphenanthrene?
The canonical SMILES for 2-hex-5-enyl-7-pent-4-enylphenanthrene is C=CCCCCc1ccc2c(ccc3cc(CCCC=C)ccc32)c1.
What is the InChIKey of 2-hex-5-enyl-7-pent-4-enylphenanthrene?
The InChIKey is VZVBKEJEBVXIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-3-5-7-9-11-21-13-17-25-23(19-21)15-14-22-18-20(10-8-6-4-2)12-16-24(22)25/h3-4,12-19H,1-2,5-11H2.
What are the key properties of 2-hex-5-enyl-7-pent-4-enylphenanthrene?
2-hex-5-enyl-7-pent-4-enylphenanthrene has a molecular weight of 328.50 g/mol, XLogP of 7.40, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enyl-7-pent-4-enylphenanthrene is sourced from PubChem (CID 139836992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).