CID 90103632

C7H11O4P — CID 90103632

IUPAC—
SMILESC=C(C)C(=O)OCCCP(=O)=O
InChIInChI=1S/C7H11O4P/c1-6(2)7(8)11-4-3-5-12(9)10/h1,3-5H2,2H3
InChIKeyOXXWBUSPJWDOKF-UHFFFAOYSA-N
MW190.13 g/mol
LogP1.67
Rot. Bonds5

About CID 90103632

CID 90103632 (PubChem CID 90103632) has the molecular formula C7H11O4P and a molecular weight of 190.13 g/mol.

Molecular Properties

Compound NameCID 90103632
PubChem CID90103632
Molecular FormulaC7H11O4P
Molecular Weight190.13 g/mol
Exact Mass190.04
IUPAC Name—
SMILESC=C(C)C(=O)OCCCP(=O)=O
InChIInChI=1S/C7H11O4P/c1-6(2)7(8)11-4-3-5-12(9)10/h1,3-5H2,2H3
InChIKeyOXXWBUSPJWDOKF-UHFFFAOYSA-N
XLogP1.67
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]ethyl 2-methylprop-2-enoate
CID 141098412
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
sulfane;3-sulfanylpropyl 2-methylprop-2-enoate
CID 175403752
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
3-sulfanylpropyl 2-methylprop-2-enoate
CID 10034892
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056

Frequently Asked Questions

What is the IUPAC name of CID 90103632?
The IUPAC name of CID 90103632 (CID 90103632) is not available.
What is the SMILES notation for CID 90103632?
The canonical SMILES for CID 90103632 is C=C(C)C(=O)OCCCP(=O)=O.
What is the InChIKey of CID 90103632?
The InChIKey is OXXWBUSPJWDOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O4P/c1-6(2)7(8)11-4-3-5-12(9)10/h1,3-5H2,2H3.
What are the key properties of CID 90103632?
CID 90103632 has a molecular weight of 190.13 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90103632 is sourced from PubChem (CID 90103632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).