CID 123645963

C6H11O2P — CID 123645963

IUPAC—
SMILESC=CCO/[P+]([O-])=C/CC
InChIInChI=1S/C6H11O2P/c1-3-5-8-9(7)6-4-2/h3,6H,1,4-5H2,2H3
InChIKeyRXQFRXUIMWKULF-UHFFFAOYSA-N
MW146.13 g/mol
LogP1.07
Rot. Bonds4

About CID 123645963

CID 123645963 (PubChem CID 123645963) has the molecular formula C6H11O2P and a molecular weight of 146.13 g/mol.

Molecular Properties

Compound NameCID 123645963
PubChem CID123645963
Molecular FormulaC6H11O2P
Molecular Weight146.13 g/mol
Exact Mass146.05
IUPAC Name—
SMILESC=CCO/[P+]([O-])=C/CC
InChIInChI=1S/C6H11O2P/c1-3-5-8-9(7)6-4-2/h3,6H,1,4-5H2,2H3
InChIKeyRXQFRXUIMWKULF-UHFFFAOYSA-N
XLogP1.07
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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but-1-ene;ethene
CID 19017343
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CID 18533281
oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium
CID 88759838
2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate
CID 155300738
but-1-ene;2,3-dimethylbut-2-ene
CID 144536519
but-1-ene;silyloxysilane
CID 174887933
1-prop-2-enoxybut-1-en-1-ol
CID 76598175
azane;prop-2-enyl propanoate
CID 87729437

Frequently Asked Questions

What is the IUPAC name of CID 123645963?
The IUPAC name of CID 123645963 (CID 123645963) is not available.
What is the SMILES notation for CID 123645963?
The canonical SMILES for CID 123645963 is C=CCO/[P+]([O-])=C/CC.
What is the InChIKey of CID 123645963?
The InChIKey is RXQFRXUIMWKULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2P/c1-3-5-8-9(7)6-4-2/h3,6H,1,4-5H2,2H3.
What are the key properties of CID 123645963?
CID 123645963 has a molecular weight of 146.13 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123645963 is sourced from PubChem (CID 123645963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).