dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene

C10H17O3P — CID 158685668

IUPACdimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C=CC(C)=C1C.COP(O)OC
InChIInChI=1S/C8H10.C2H7O3P/c1-6-4-5-7(2)8(6)3;1-4-6(3)5-2/h4-5H,1H2,2-3H3;3H,1-2H3
InChIKeyIFRXKWZJZXUFRW-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.95
Rot. Bonds2

About dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene

dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene (PubChem CID 158685668) has the molecular formula C10H17O3P and a molecular weight of 216.22 g/mol. Its IUPAC name is dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Namedimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene
PubChem CID158685668
Molecular FormulaC10H17O3P
Molecular Weight216.22 g/mol
Exact Mass216.09
IUPAC Namedimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C=CC(C)=C1C.COP(O)OC
InChIInChI=1S/C8H10.C2H7O3P/c1-6-4-5-7(2)8(6)3;1-4-6(3)5-2/h4-5H,1H2,2-3H3;3H,1-2H3
InChIKeyIFRXKWZJZXUFRW-UHFFFAOYSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 134898231
CID 134898231
methyl dihydrogen phosphite;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142032629
[(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
Diethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene
CID 160019415
Carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite
CID 11001589

Frequently Asked Questions

What is the IUPAC name of dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene?
The IUPAC name of dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene (CID 158685668) is dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene.
What is the SMILES notation for dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene?
The canonical SMILES for dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene is C=C1C=CC(C)=C1C.COP(O)OC.
What is the InChIKey of dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene?
The InChIKey is IFRXKWZJZXUFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C2H7O3P/c1-6-4-5-7(2)8(6)3;1-4-6(3)5-2/h4-5H,1H2,2-3H3;3H,1-2H3.
What are the key properties of dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene?
dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene has a molecular weight of 216.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl hydrogen phosphite;1,2-dimethyl-5-methylidenecyclopenta-1,3-diene is sourced from PubChem (CID 158685668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).