CID 174037994

C10H18B2 — CID 174037994

IUPAC—
SMILES[B]/C(=C(\[B])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H18B2/c1-9(2,3)7(11)8(12)10(4,5)6/h1-6H3/b8-7-
InChIKeyGJIDGMPBCVGBNS-FPLPWBNLSA-N
MW159.88 g/mol
LogP2.63
Rot. Bonds

About CID 174037994

CID 174037994 (PubChem CID 174037994) has the molecular formula C10H18B2 and a molecular weight of 159.88 g/mol.

Molecular Properties

Compound NameCID 174037994
PubChem CID174037994
Molecular FormulaC10H18B2
Molecular Weight159.88 g/mol
Exact Mass160.16
IUPAC Name—
SMILES[B]/C(=C(\[B])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H18B2/c1-9(2,3)7(11)8(12)10(4,5)6/h1-6H3/b8-7-
InChIKeyGJIDGMPBCVGBNS-FPLPWBNLSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.88
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174037994?
The IUPAC name of CID 174037994 (CID 174037994) is not available.
What is the SMILES notation for CID 174037994?
The canonical SMILES for CID 174037994 is [B]/C(=C(\[B])C(C)(C)C)C(C)(C)C.
What is the InChIKey of CID 174037994?
The InChIKey is GJIDGMPBCVGBNS-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H18B2/c1-9(2,3)7(11)8(12)10(4,5)6/h1-6H3/b8-7-.
What are the key properties of CID 174037994?
CID 174037994 has a molecular weight of 159.88 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174037994 is sourced from PubChem (CID 174037994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).