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

C10H19O2P — CID 142346781

IUPACethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid
SMILESC=C/C=C\C(=C/CC)P(O)O.CC
InChIInChI=1S/C8H13O2P.C2H6/c1-3-5-7-8(6-4-2)11(9)10;1-2/h3,5-7,9-10H,1,4H2,2H3;1-2H3/b7-5-,8-6+;
InChIKeyDDENHQQFGUZFFW-KHCQPJBVSA-N
MW202.23 g/mol
LogP3.35
Rot. Bonds4

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

ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid (PubChem CID 142346781) has the molecular formula C10H19O2P and a molecular weight of 202.23 g/mol. Its IUPAC name is ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid.

Molecular Properties

Compound Nameethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid
PubChem CID142346781
Molecular FormulaC10H19O2P
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Nameethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid
SMILESC=C/C=C\C(=C/CC)P(O)O.CC
InChIInChI=1S/C8H13O2P.C2H6/c1-3-5-7-8(6-4-2)11(9)10;1-2/h3,5-7,9-10H,1,4H2,2H3;1-2H3/b7-5-,8-6+;
InChIKeyDDENHQQFGUZFFW-KHCQPJBVSA-N
XLogP3.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.35
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-5,7,9,11-tetraen-3-ylphosphonic acid
CID 54296435
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
[(3E)-4-ethylhepta-3,5-dien-3-yl]phosphonic acid
CID 87390803
[(5E,7E,11E)-4,5-dimethyltrideca-2,3,5,7,11-pentaen-2-yl]phosphonic acid
CID 88258895
[(1E,3E,5E,7E)-dodeca-1,3,5,7-tetraenyl]phosphonic acid
CID 88259395
[(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
4-Ethylhepta-3,5-dien-3-ylphosphonic acid
CID 90935578
Nona-1,3,5-trienylphosphonic acid
CID 91211499
[(2E,4E,6E)-dodeca-2,4,6,9,10-pentaenyl]phosphonic acid
CID 141997594

Frequently Asked Questions

What is the IUPAC name of ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid?
The IUPAC name of ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid (CID 142346781) is ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid.
What is the SMILES notation for ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid?
The canonical SMILES for ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid is C=C/C=C\C(=C/CC)P(O)O.CC.
What is the InChIKey of ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid?
The InChIKey is DDENHQQFGUZFFW-KHCQPJBVSA-N. The full InChI is InChI=1S/C8H13O2P.C2H6/c1-3-5-7-8(6-4-2)11(9)10;1-2/h3,5-7,9-10H,1,4H2,2H3;1-2H3/b7-5-,8-6+;.
What are the key properties of ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid?
ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid has a molecular weight of 202.23 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3E,5Z)-octa-3,5,7-trien-4-yl]phosphonous acid is sourced from PubChem (CID 142346781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).