CID 149257469

C7H15B — CID 149257469

IUPAC—
SMILES[B]CCC(CC)CC
InChIInChI=1S/C7H15B/c1-3-7(4-2)5-6-8/h7H,3-6H2,1-2H3
InChIKeySUXWDUBTEURVME-UHFFFAOYSA-N
MW110.01 g/mol
LogP2.40
Rot. Bonds4

About CID 149257469

CID 149257469 (PubChem CID 149257469) has the molecular formula C7H15B and a molecular weight of 110.01 g/mol.

Molecular Properties

Compound NameCID 149257469
PubChem CID149257469
Molecular FormulaC7H15B
Molecular Weight110.01 g/mol
Exact Mass110.13
IUPAC Name—
SMILES[B]CCC(CC)CC
InChIInChI=1S/C7H15B/c1-3-7(4-2)5-6-8/h7H,3-6H2,1-2H3
InChIKeySUXWDUBTEURVME-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.01
LogP ≤ 52.40
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

3,6-diethyloctane
CID 526424
3,7-diethylnonane
CID 22089120
3-ethyl-7-methylnonane
CID 526426
3-ethyl-8-methyldecane
CID 57490930
3-ethyl-10-methyldodecane
CID 54169175
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
5-ethyl-2-methylheptane-1-thiol
CID 89234473
3-ethyl-6-methyldecane
CID 57490928
3-ethyl-6,11-dimethyltridecane
CID 123237146
3-ethyloctane;propane
CID 143682929
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487

Frequently Asked Questions

What is the IUPAC name of CID 149257469?
The IUPAC name of CID 149257469 (CID 149257469) is not available.
What is the SMILES notation for CID 149257469?
The canonical SMILES for CID 149257469 is [B]CCC(CC)CC.
What is the InChIKey of CID 149257469?
The InChIKey is SUXWDUBTEURVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15B/c1-3-7(4-2)5-6-8/h7H,3-6H2,1-2H3.
What are the key properties of CID 149257469?
CID 149257469 has a molecular weight of 110.01 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149257469 is sourced from PubChem (CID 149257469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).