CID 143433984

C6H12BO — CID 143433984

IUPAC—
SMILESCC1(C)[B]OC1(C)C
InChIInChI=1S/C6H12BO/c1-5(2)6(3,4)8-7-5/h1-4H3
InChIKeyMSTJONSCLACPGB-UHFFFAOYSA-N
MW110.97 g/mol
LogP1.61
Rot. Bonds

About CID 143433984

CID 143433984 (PubChem CID 143433984) has the molecular formula C6H12BO and a molecular weight of 110.97 g/mol.

Molecular Properties

Compound NameCID 143433984
PubChem CID143433984
Molecular FormulaC6H12BO
Molecular Weight110.97 g/mol
Exact Mass111.10
IUPAC Name—
SMILESCC1(C)[B]OC1(C)C
InChIInChI=1S/C6H12BO/c1-5(2)6(3,4)8-7-5/h1-4H3
InChIKeyMSTJONSCLACPGB-UHFFFAOYSA-N
XLogP1.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.97
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine
CID 163964807
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CID 59124579
CID 58239535
CID 58239535
2,2,3,3,5,6-hexamethyl-1,4-dioxine
CID 122631119
3,3,6,6-tetramethyl-1,2,4,5-tetraoxane
CID 536100
2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9-pentaoxecane
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Frequently Asked Questions

What is the IUPAC name of CID 143433984?
The IUPAC name of CID 143433984 (CID 143433984) is not available.
What is the SMILES notation for CID 143433984?
The canonical SMILES for CID 143433984 is CC1(C)[B]OC1(C)C.
What is the InChIKey of CID 143433984?
The InChIKey is MSTJONSCLACPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BO/c1-5(2)6(3,4)8-7-5/h1-4H3.
What are the key properties of CID 143433984?
CID 143433984 has a molecular weight of 110.97 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143433984 is sourced from PubChem (CID 143433984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).