CID 136756069

C19H42B2P2 — CID 136756069

IUPAC—
SMILES[B-][P+](C)(C[P+]([B-])(C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C19H42B2P2/c1-16(2,3)13-18(7,8)22(11,20)15-23(12,21)19(9,10)14-17(4,5)6/h13-15H2,1-12H3
InChIKeyKVXHGIIOHHFTGX-UHFFFAOYSA-N
MW354.12 g/mol
LogP6.84
Rot. Bonds6

About CID 136756069

CID 136756069 (PubChem CID 136756069) has the molecular formula C19H42B2P2 and a molecular weight of 354.12 g/mol.

Molecular Properties

Compound NameCID 136756069
PubChem CID136756069
Molecular FormulaC19H42B2P2
Molecular Weight354.12 g/mol
Exact Mass354.29
IUPAC Name—
SMILES[B-][P+](C)(C[P+]([B-])(C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C19H42B2P2/c1-16(2,3)13-18(7,8)22(11,20)15-23(12,21)19(9,10)14-17(4,5)6/h13-15H2,1-12H3
InChIKeyKVXHGIIOHHFTGX-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.12
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338
4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane
CID 167346782
3,3,5,5-tetramethylhexan-2-amine
CID 143433307
2,5,5-trimethyl-3-propan-2-ylhexan-3-amine
CID 167343931
2,2,4,4,7,7,9,9-octamethyldec-5-ene
CID 90796396
2,2,4,4,6,6-hexamethylheptane
CID 2795065
2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane
CID 162570154
2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine
CID 131886244
3,5,5-trimethyl-3-propan-2-ylhex-1-ene
CID 123318417
1-propan-2-yl-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 17276890
2-bromo-2,4,4-trimethylpentane
CID 11435470
2,4,4-trimethylpentan-2-ylazanium
CID 5178672

Frequently Asked Questions

What is the IUPAC name of CID 136756069?
The IUPAC name of CID 136756069 (CID 136756069) is not available.
What is the SMILES notation for CID 136756069?
The canonical SMILES for CID 136756069 is [B-][P+](C)(C[P+]([B-])(C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C.
What is the InChIKey of CID 136756069?
The InChIKey is KVXHGIIOHHFTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42B2P2/c1-16(2,3)13-18(7,8)22(11,20)15-23(12,21)19(9,10)14-17(4,5)6/h13-15H2,1-12H3.
What are the key properties of CID 136756069?
CID 136756069 has a molecular weight of 354.12 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136756069 is sourced from PubChem (CID 136756069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).