CID 176769115

C5H10BIP — CID 176769115

IUPAC—
SMILESCC(C)=CCP[B]I
InChIInChI=1S/C5H10BIP/c1-5(2)3-4-8-6-7/h3,8H,4H2,1-2H3
InChIKeyAOSQAKLYTRCUSY-UHFFFAOYSA-N
MW238.82 g/mol
LogP2.60
Rot. Bonds3

About CID 176769115

CID 176769115 (PubChem CID 176769115) has the molecular formula C5H10BIP and a molecular weight of 238.82 g/mol.

Molecular Properties

Compound NameCID 176769115
PubChem CID176769115
Molecular FormulaC5H10BIP
Molecular Weight238.82 g/mol
Exact Mass238.97
IUPAC Name—
SMILESCC(C)=CCP[B]I
InChIInChI=1S/C5H10BIP/c1-5(2)3-4-8-6-7/h3,8H,4H2,1-2H3
InChIKeyAOSQAKLYTRCUSY-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.82
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 58219183
CID 58219183
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
(E)-3-methyl(411C)but-2-en-1-ol
CID 11693897
2-iodo-6-methylhepta-2,5-diene
CID 71330256
3-methylbut-2-en-1-ol;hydrate
CID 172859141
benzyl(3-methylbut-2-enyl)phosphane
CID 67468071
(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 175339928
N,3-dimethylbut-2-en-1-amine
CID 12688299
3-methylbut-2-enyltin(3+);tris(2-methylpropan-2-olate)
CID 174192053
copper(1+);2-methylhept-2-ene
CID 154722359
methanolate;3-methylbut-2-enyltin(3+)
CID 174192020
trimethyl(3-methylbut-2-enyl)silane
CID 642563

Frequently Asked Questions

What is the IUPAC name of CID 176769115?
The IUPAC name of CID 176769115 (CID 176769115) is not available.
What is the SMILES notation for CID 176769115?
The canonical SMILES for CID 176769115 is CC(C)=CCP[B]I.
What is the InChIKey of CID 176769115?
The InChIKey is AOSQAKLYTRCUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BIP/c1-5(2)3-4-8-6-7/h3,8H,4H2,1-2H3.
What are the key properties of CID 176769115?
CID 176769115 has a molecular weight of 238.82 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176769115 is sourced from PubChem (CID 176769115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).