CID 174093884

C8H18BNO — CID 174093884

IUPAC—
SMILES[B]N(C)OCC(CC)CCC
InChIInChI=1S/C8H18BNO/c1-4-6-8(5-2)7-11-10(3)9/h8H,4-7H2,1-3H3
InChIKeyGIPDMDPLZRWWID-UHFFFAOYSA-N
MW155.05 g/mol
LogP1.76
Rot. Bonds6

About CID 174093884

CID 174093884 (PubChem CID 174093884) has the molecular formula C8H18BNO and a molecular weight of 155.05 g/mol.

Molecular Properties

Compound NameCID 174093884
PubChem CID174093884
Molecular FormulaC8H18BNO
Molecular Weight155.05 g/mol
Exact Mass155.15
IUPAC Name—
SMILES[B]N(C)OCC(CC)CCC
InChIInChI=1S/C8H18BNO/c1-4-6-8(5-2)7-11-10(3)9/h8H,4-7H2,1-3H3
InChIKeyGIPDMDPLZRWWID-UHFFFAOYSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.05
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-ethylpentyl formate
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bis(2-ethylpentyl) (Z)-but-2-enedioate
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2-ethyl-1-(2-ethylpentoxy)pentan-1-ol
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2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
CID 160839086
CID 160839086
4-[4-(2-ethylpentoxy)butoxy]butan-1-ol
CID 90192987
2-(2-ethylhexoxysilyloxy)-N,N-dimethylethanamine
CID 151837014
4-ethylheptane;3-methylheptane
CID 143099611
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815

Frequently Asked Questions

What is the IUPAC name of CID 174093884?
The IUPAC name of CID 174093884 (CID 174093884) is not available.
What is the SMILES notation for CID 174093884?
The canonical SMILES for CID 174093884 is [B]N(C)OCC(CC)CCC.
What is the InChIKey of CID 174093884?
The InChIKey is GIPDMDPLZRWWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BNO/c1-4-6-8(5-2)7-11-10(3)9/h8H,4-7H2,1-3H3.
What are the key properties of CID 174093884?
CID 174093884 has a molecular weight of 155.05 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174093884 is sourced from PubChem (CID 174093884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).