(4E)-7-phosphorosohepta-1,4-diene

C7H11OP — CID 21304200

IUPAC(4E)-7-phosphorosohepta-1,4-diene
SMILESC=CC/C=C/CCP=O
InChIInChI=1S/C7H11OP/c1-2-3-4-5-6-7-9-8/h2,4-5H,1,3,6-7H2/b5-4+
InChIKeyXDICHXLYEBAKDY-SNAWJCMRSA-N
MW142.14 g/mol
LogP2.80
Rot. Bonds5

About (4E)-7-phosphorosohepta-1,4-diene

(4E)-7-phosphorosohepta-1,4-diene (PubChem CID 21304200) has the molecular formula C7H11OP and a molecular weight of 142.14 g/mol. Its IUPAC name is (4E)-7-phosphorosohepta-1,4-diene.

Molecular Properties

Compound Name(4E)-7-phosphorosohepta-1,4-diene
PubChem CID21304200
Molecular FormulaC7H11OP
Molecular Weight142.14 g/mol
Exact Mass142.05
IUPAC Name(4E)-7-phosphorosohepta-1,4-diene
SMILESC=CC/C=C/CCP=O
InChIInChI=1S/C7H11OP/c1-2-3-4-5-6-7-9-8/h2,4-5H,1,3,6-7H2/b5-4+
InChIKeyXDICHXLYEBAKDY-SNAWJCMRSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodeca-1,4,10-triene
CID 174048310
(4Z)-dodeca-1,4-diene
CID 12525542
pentadeca-1,4,9-triene
CID 174048539
trideca-1,4,11-triene
CID 172759150
methyl (4E)-octa-4,7-dienoate
CID 10986465
trideca-9,12-dienoic acid
CID 140680246
6-iodohexa-1,4-diene
CID 73158271
pentadeca-1,4,8-triene
CID 174048494
hexadeca-1,4,8-triene
CID 174048525
(7E)-4-hydroxyundeca-7,10-dienoic acid
CID 13148487
1-penta-1,4-dienylsulfonylpenta-1,4-diene
CID 173151693
tetracosa-20,23-dien-10-one
CID 123873281

Frequently Asked Questions

What is the IUPAC name of (4E)-7-phosphorosohepta-1,4-diene?
The IUPAC name of (4E)-7-phosphorosohepta-1,4-diene (CID 21304200) is (4E)-7-phosphorosohepta-1,4-diene.
What is the SMILES notation for (4E)-7-phosphorosohepta-1,4-diene?
The canonical SMILES for (4E)-7-phosphorosohepta-1,4-diene is C=CC/C=C/CCP=O.
What is the InChIKey of (4E)-7-phosphorosohepta-1,4-diene?
The InChIKey is XDICHXLYEBAKDY-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11OP/c1-2-3-4-5-6-7-9-8/h2,4-5H,1,3,6-7H2/b5-4+.
What are the key properties of (4E)-7-phosphorosohepta-1,4-diene?
(4E)-7-phosphorosohepta-1,4-diene has a molecular weight of 142.14 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-7-phosphorosohepta-1,4-diene is sourced from PubChem (CID 21304200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).