CID 174030346

C11H24B — CID 174030346

IUPAC—
SMILESCCC(CC)C(C)C[B]C(C)C
InChIInChI=1S/C11H24B/c1-6-11(7-2)10(5)8-12-9(3)4/h9-11H,6-8H2,1-5H3
InChIKeyQMVBEHIFTUULGM-UHFFFAOYSA-N
MW167.12 g/mol
LogP4.01
Rot. Bonds6

About CID 174030346

CID 174030346 (PubChem CID 174030346) has the molecular formula C11H24B and a molecular weight of 167.12 g/mol.

Molecular Properties

Compound NameCID 174030346
PubChem CID174030346
Molecular FormulaC11H24B
Molecular Weight167.12 g/mol
Exact Mass167.20
IUPAC Name—
SMILESCCC(CC)C(C)C[B]C(C)C
InChIInChI=1S/C11H24B/c1-6-11(7-2)10(5)8-12-9(3)4/h9-11H,6-8H2,1-5H3
InChIKeyQMVBEHIFTUULGM-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 54.01
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

(4R)-3-ethyl-4-methylhexane
CID 59954491
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane
CID 123222761
CID 91437014
CID 91437014
copper bis(3-methylpentan-2-olate)
CID 87166052
3,5-diethyl-4,6,7-trimethylnonane
CID 123912873
3-ethyl-N-(3-methylpentan-2-yl)pentan-2-amine
CID 63841917
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
3-ethyl-4-methylhexan-1-amine
CID 123538643
(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
5-butan-2-yl-3-ethyl-4-methylnonane
CID 123762542
3,4-diethylhexane;ethane
CID 178112158

Frequently Asked Questions

What is the IUPAC name of CID 174030346?
The IUPAC name of CID 174030346 (CID 174030346) is not available.
What is the SMILES notation for CID 174030346?
The canonical SMILES for CID 174030346 is CCC(CC)C(C)C[B]C(C)C.
What is the InChIKey of CID 174030346?
The InChIKey is QMVBEHIFTUULGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24B/c1-6-11(7-2)10(5)8-12-9(3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of CID 174030346?
CID 174030346 has a molecular weight of 167.12 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174030346 is sourced from PubChem (CID 174030346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).