CID 174450797

C10H21B — CID 174450797

IUPAC—
SMILES[B]C(C)(CC(C)C)CC(C)C
InChIInChI=1S/C10H21B/c1-8(2)6-10(5,11)7-9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyZYBKUJXIXAJVHL-UHFFFAOYSA-N
MW152.09 g/mol
LogP3.43
Rot. Bonds4

About CID 174450797

CID 174450797 (PubChem CID 174450797) has the molecular formula C10H21B and a molecular weight of 152.09 g/mol.

Molecular Properties

Compound NameCID 174450797
PubChem CID174450797
Molecular FormulaC10H21B
Molecular Weight152.09 g/mol
Exact Mass152.17
IUPAC Name—
SMILES[B]C(C)(CC(C)C)CC(C)C
InChIInChI=1S/C10H21B/c1-8(2)6-10(5,11)7-9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyZYBKUJXIXAJVHL-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 53.43
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

4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
2-iodo-2,4-dimethylpentanenitrile
CID 58298002
2,4,4,6-tetramethyl-3-propan-2-ylheptane
CID 57492978
2,2-difluoro-3,3,5-trimethylhexane
CID 157101108
2,2,3,4,4,6-hexamethylheptane
CID 57491289
4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane
CID 167346782
3,3-difluoro-2,2,5-trimethylhexane
CID 90268421
2,2-bis(2,3-dimethylbutan-2-ylperoxy)-4-methylpentane
CID 139945246
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
(2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
CID 119025800
3-ethyl-2,3,5-trimethylhexane
CID 53428900

Frequently Asked Questions

What is the IUPAC name of CID 174450797?
The IUPAC name of CID 174450797 (CID 174450797) is not available.
What is the SMILES notation for CID 174450797?
The canonical SMILES for CID 174450797 is [B]C(C)(CC(C)C)CC(C)C.
What is the InChIKey of CID 174450797?
The InChIKey is ZYBKUJXIXAJVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21B/c1-8(2)6-10(5,11)7-9(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of CID 174450797?
CID 174450797 has a molecular weight of 152.09 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174450797 is sourced from PubChem (CID 174450797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).