[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid

C8H13O2P — CID 142346782

IUPAC[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid
SMILESC=C/C=C\C(=C/CC)P(O)O
InChIInChI=1S/C8H13O2P/c1-3-5-7-8(6-4-2)11(9)10/h3,5-7,9-10H,1,4H2,2H3/b7-5-,8-6+
InChIKeyJZSMRYLRZUYCLY-CGXWXWIYSA-N
MW172.16 g/mol
LogP2.32
Rot. Bonds4

About [(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid

[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid (PubChem CID 142346782) has the molecular formula C8H13O2P and a molecular weight of 172.16 g/mol. Its IUPAC name is [(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid.

Molecular Properties

Compound Name[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid
PubChem CID142346782
Molecular FormulaC8H13O2P
Molecular Weight172.16 g/mol
Exact Mass172.07
IUPAC Name[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid
SMILESC=C/C=C\C(=C/CC)P(O)O
InChIInChI=1S/C8H13O2P/c1-3-5-7-8(6-4-2)11(9)10/h3,5-7,9-10H,1,4H2,2H3/b7-5-,8-6+
InChIKeyJZSMRYLRZUYCLY-CGXWXWIYSA-N
XLogP2.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dodeca-3,5,7,9,11-pentaen-3-ylphosphonic acid
CID 54524514
Cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-lambda5-phosphane
CID 56627965
[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid
CID 88557660
[(3E)-hexa-3,5-dien-3-yl]phosphonic acid
CID 88783282
[(3E)-octa-1,3-dien-4-yl]phosphonic acid
CID 88784473
Nona-4,6,8-trien-3-ylphosphonic acid
CID 90728250
Nona-1,3,5-trienylphosphonic acid
CID 91211499
Cyclopenta-1,3-diene;ethylphosphonic acid
CID 123279176
[(E)-hex-3-en-3-yl]phosphonous acid
CID 134306641
(4-Ethenylcyclohexa-2,4-dien-1-ylidene)-hydroxy-oxidophosphanium
CID 140248524
[(2E,4E,6E)-dodeca-2,4,6,9,10-pentaenyl]phosphonic acid
CID 141997594
ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid
CID 142346781

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid?
The IUPAC name of [(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid (CID 142346782) is [(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid.
What is the SMILES notation for [(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid?
The canonical SMILES for [(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid is C=C/C=C\C(=C/CC)P(O)O.
What is the InChIKey of [(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid?
The InChIKey is JZSMRYLRZUYCLY-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H13O2P/c1-3-5-7-8(6-4-2)11(9)10/h3,5-7,9-10H,1,4H2,2H3/b7-5-,8-6+.
What are the key properties of [(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid?
[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid has a molecular weight of 172.16 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid is sourced from PubChem (CID 142346782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).