CID 155716432

C10H19BO2 — CID 155716432

IUPAC—
SMILES[B]CC(=O)OC(C)(CCC)CCC
InChIInChI=1S/C10H19BO2/c1-4-6-10(3,7-5-2)13-9(12)8-11/h4-8H2,1-3H3
InChIKeyCITSMYAWBFSLQV-UHFFFAOYSA-N
MW182.07 g/mol
LogP2.48
Rot. Bonds6

About CID 155716432

CID 155716432 (PubChem CID 155716432) has the molecular formula C10H19BO2 and a molecular weight of 182.07 g/mol.

Molecular Properties

Compound NameCID 155716432
PubChem CID155716432
Molecular FormulaC10H19BO2
Molecular Weight182.07 g/mol
Exact Mass182.15
IUPAC Name—
SMILES[B]CC(=O)OC(C)(CCC)CCC
InChIInChI=1S/C10H19BO2/c1-4-6-10(3,7-5-2)13-9(12)8-11/h4-8H2,1-3H3
InChIKeyCITSMYAWBFSLQV-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.07
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylheptan-4-yl pentanoate
CID 170214074
4-methylheptan-4-yl acetate
CID 58165665
bis(3-methylhexan-3-yl) butanedioate
CID 22726145
3-methylhexan-3-yl 2-cyanoacetate
CID 73011798
9-methylnonadecan-9-yl octadecanoate
CID 87086259
4-methylheptan-4-yl 2-methyl-2-propylhexanoate
CID 170297698
4-methylheptan-4-yl 3-(4-methylphenyl)propanoate
CID 145294080
magnesium;hydride;3-(11-methylhenicosan-11-yloxy)-3-oxopropanoic acid
CID 175224843
(2-methyl-1-oxopropan-2-yl) propanoate
CID 88871644
lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid
CID 174968630
sodium 3-(5-methylpentadecan-5-yloxy)-3-oxopropanoate
CID 175226070
1-O-ethyl 4-O-(4-methylheptan-4-yl) 2-diethoxyphosphorylbutanedioate
CID 164929031

Frequently Asked Questions

What is the IUPAC name of CID 155716432?
The IUPAC name of CID 155716432 (CID 155716432) is not available.
What is the SMILES notation for CID 155716432?
The canonical SMILES for CID 155716432 is [B]CC(=O)OC(C)(CCC)CCC.
What is the InChIKey of CID 155716432?
The InChIKey is CITSMYAWBFSLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO2/c1-4-6-10(3,7-5-2)13-9(12)8-11/h4-8H2,1-3H3.
What are the key properties of CID 155716432?
CID 155716432 has a molecular weight of 182.07 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155716432 is sourced from PubChem (CID 155716432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).