CID 148792664

C5H11BO — CID 148792664

IUPAC—
SMILES[B]OCCC(C)C
InChIInChI=1S/C5H11BO/c1-5(2)3-4-7-6/h5H,3-4H2,1-2H3
InChIKeyKOELZAYYTPQQHB-UHFFFAOYSA-N
MW97.95 g/mol
LogP1.13
Rot. Bonds3

About CID 148792664

CID 148792664 (PubChem CID 148792664) has the molecular formula C5H11BO and a molecular weight of 97.95 g/mol.

Molecular Properties

Compound NameCID 148792664
PubChem CID148792664
Molecular FormulaC5H11BO
Molecular Weight97.95 g/mol
Exact Mass98.09
IUPAC Name—
SMILES[B]OCCC(C)C
InChIInChI=1S/C5H11BO/c1-5(2)3-4-7-6/h5H,3-4H2,1-2H3
InChIKeyKOELZAYYTPQQHB-UHFFFAOYSA-N
XLogP1.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.95
LogP ≤ 51.13
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

3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
3-methylbutyl hypobromite
CID 141146646
3-methylbutoxygallane
CID 174485666
ethane;1-methoxy-3-methylbutane
CID 144580604
3-methylbutoxysilane
CID 123427672
3-methylbutoxyphosphane;hydrobromide
CID 175546648
O-(3-methylbutyl)hydroxylamine chloride
CID 21205587
trifluoro(3-methylbutoxymethyl)boranuide
CID 63703893
3-methylbutoxymethanediol
CID 54490534
azane;O-(3-methylbutyl)hydroxylamine;dihydrochloride
CID 173322149

Frequently Asked Questions

What is the IUPAC name of CID 148792664?
The IUPAC name of CID 148792664 (CID 148792664) is not available.
What is the SMILES notation for CID 148792664?
The canonical SMILES for CID 148792664 is [B]OCCC(C)C.
What is the InChIKey of CID 148792664?
The InChIKey is KOELZAYYTPQQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BO/c1-5(2)3-4-7-6/h5H,3-4H2,1-2H3.
What are the key properties of CID 148792664?
CID 148792664 has a molecular weight of 97.95 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148792664 is sourced from PubChem (CID 148792664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).