methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene

C9H17O3P — CID 142032629

IUPACmethyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene
SMILESC=C/C=C(C)\C=C/C.COP(O)O
InChIInChI=1S/C8H12.CH5O3P/c1-4-6-8(3)7-5-2;1-4-5(2)3/h4-7H,1H2,2-3H3;2-3H,1H3/b7-5-,8-6-;
InChIKeySOHQZSXOBIBQPO-OVDGFJEXSA-N
MW204.21 g/mol
LogP2.54
Rot. Bonds3

About methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene

methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene (PubChem CID 142032629) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene.

Molecular Properties

Compound Namemethyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene
PubChem CID142032629
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Namemethyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene
SMILESC=C/C=C(C)\C=C/C.COP(O)O
InChIInChI=1S/C8H12.CH5O3P/c1-4-6-8(3)7-5-2;1-4-5(2)3/h4-7H,1H2,2-3H3;2-3H,1H3/b7-5-,8-6-;
InChIKeySOHQZSXOBIBQPO-OVDGFJEXSA-N
XLogP2.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclohepta-2,4,6-trien-1-ylidene-hydroxy-dimethoxy-lambda5-phosphane
CID 56627965
[(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium
CID 88888127
[(2Z,4E,6E)-8,8-dimethylnona-2,4,6-trien-5-yl]-ethoxyphosphinous acid
CID 143275100
[(2Z,5Z)-5-ethenyl-2-propylideneocta-5,7-dienyl]-dimethoxyphosphane
CID 144170608
Dibutyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene
CID 157569039
Dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene
CID 158685668
Diethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene
CID 160019415
(3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene
CID 143299007

Frequently Asked Questions

What is the IUPAC name of methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene?
The IUPAC name of methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene (CID 142032629) is methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene.
What is the SMILES notation for methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene?
The canonical SMILES for methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene is C=C/C=C(C)\C=C/C.COP(O)O.
What is the InChIKey of methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene?
The InChIKey is SOHQZSXOBIBQPO-OVDGFJEXSA-N. The full InChI is InChI=1S/C8H12.CH5O3P/c1-4-6-8(3)7-5-2;1-4-5(2)3/h4-7H,1H2,2-3H3;2-3H,1H3/b7-5-,8-6-;.
What are the key properties of methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene?
methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene has a molecular weight of 204.21 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene is sourced from PubChem (CID 142032629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).