CID 146876701

C8H14BClO2PW+ — CID 146876701

IUPAC—
SMILES[B][C@@H]1O[C@H](CO[P+](C)=[W])[C@@H](C)[C@@]1(C)Cl
InChIInChI=1S/C8H14BClO2P.W/c1-5-6(4-11-13-3)12-7(9)8(5,2)10;/h5-7H,4H2,1-3H3;/q-1;+2/t5-,6-,7-,8-;/m1./s1
InChIKeyBMINWTMOXZTUBO-XNJRRJNCSA-N
MW403.28 g/mol
LogP2.02
Rot. Bonds3

About CID 146876701

CID 146876701 (PubChem CID 146876701) has the molecular formula C8H14BClO2PW+ and a molecular weight of 403.28 g/mol.

Molecular Properties

Compound NameCID 146876701
PubChem CID146876701
Molecular FormulaC8H14BClO2PW+
Molecular Weight403.28 g/mol
Exact Mass403.00
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO[P+](C)=[W])[C@@H](C)[C@@]1(C)Cl
InChIInChI=1S/C8H14BClO2P.W/c1-5-6(4-11-13-3)12-7(9)8(5,2)10;/h5-7H,4H2,1-3H3;/q-1;+2/t5-,6-,7-,8-;/m1./s1
InChIKeyBMINWTMOXZTUBO-XNJRRJNCSA-N
XLogP2.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane
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CID 157351191
CID 157351191
deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane
CID 148982723
CID 90145137
CID 90145137
CID 160815925
CID 160815925
CID 174043460
CID 174043460
CID 20584623
CID 20584623
(2S,4S,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane
CID 122450195
CID 90136214
CID 90136214
CID 90347966
CID 90347966
CID 20584617
CID 20584617
CID 161408151
CID 161408151

Frequently Asked Questions

What is the IUPAC name of CID 146876701?
The IUPAC name of CID 146876701 (CID 146876701) is not available.
What is the SMILES notation for CID 146876701?
The canonical SMILES for CID 146876701 is [B][C@@H]1O[C@H](CO[P+](C)=[W])[C@@H](C)[C@@]1(C)Cl.
What is the InChIKey of CID 146876701?
The InChIKey is BMINWTMOXZTUBO-XNJRRJNCSA-N. The full InChI is InChI=1S/C8H14BClO2P.W/c1-5-6(4-11-13-3)12-7(9)8(5,2)10;/h5-7H,4H2,1-3H3;/q-1;+2/t5-,6-,7-,8-;/m1./s1.
What are the key properties of CID 146876701?
CID 146876701 has a molecular weight of 403.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146876701 is sourced from PubChem (CID 146876701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).