CID 91524756

C8H17B — CID 91524756

IUPAC—
SMILES[B]C(CC)C(C)CCC
InChIInChI=1S/C8H17B/c1-4-6-7(3)8(9)5-2/h7-8H,4-6H2,1-3H3
InChIKeyYDYSMGBCMWGXRW-UHFFFAOYSA-N
MW124.04 g/mol
LogP2.79
Rot. Bonds4

About CID 91524756

CID 91524756 (PubChem CID 91524756) has the molecular formula C8H17B and a molecular weight of 124.04 g/mol.

Molecular Properties

Compound NameCID 91524756
PubChem CID91524756
Molecular FormulaC8H17B
Molecular Weight124.04 g/mol
Exact Mass124.14
IUPAC Name—
SMILES[B]C(CC)C(C)CCC
InChIInChI=1S/C8H17B/c1-4-6-7(3)8(9)5-2/h7-8H,4-6H2,1-3H3
InChIKeyYDYSMGBCMWGXRW-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.04
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3,4-dimethylheptane
CID 59819300
CID 87137744
CID 87137744
5-ethyl-2,3,4,6-tetramethylnonane
CID 90811278
(4R)-4-methylheptan-3-ol
CID 12799251
2-pentan-2-ylpropane-1,3-diol;2-pentan-3-ylpropane-1,3-diol
CID 174400202
4,5-diethyloctane
CID 519254
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
(2S,3R)-2-fluoro-3-methylhexane
CID 142291573
(2R)-3-methylhexan-2-ol
CID 88692749
(3R,4R,5R)-4,5-dimethyloctan-3-amine
CID 151288694
3-ethyl-2,2,4-trimethylheptane
CID 22354769
CID 160839086
CID 160839086

Frequently Asked Questions

What is the IUPAC name of CID 91524756?
The IUPAC name of CID 91524756 (CID 91524756) is not available.
What is the SMILES notation for CID 91524756?
The canonical SMILES for CID 91524756 is [B]C(CC)C(C)CCC.
What is the InChIKey of CID 91524756?
The InChIKey is YDYSMGBCMWGXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17B/c1-4-6-7(3)8(9)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of CID 91524756?
CID 91524756 has a molecular weight of 124.04 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91524756 is sourced from PubChem (CID 91524756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).