CID 154668407

C7H13B — CID 154668407

IUPAC—
SMILES[B]/C(=C/CCC)CC
InChIInChI=1S/C7H13B/c1-3-5-6-7(8)4-2/h6H,3-5H2,1-2H3/b7-6+
InChIKeyPZHDPEMMQGSZBX-VOTSOKGWSA-N
MW107.99 g/mol
LogP2.25
Rot. Bonds3

About CID 154668407

CID 154668407 (PubChem CID 154668407) has the molecular formula C7H13B and a molecular weight of 107.99 g/mol.

Molecular Properties

Compound NameCID 154668407
PubChem CID154668407
Molecular FormulaC7H13B
Molecular Weight107.99 g/mol
Exact Mass108.11
IUPAC Name—
SMILES[B]/C(=C/CCC)CC
InChIInChI=1S/C7H13B/c1-3-5-6-7(8)4-2/h6H,3-5H2,1-2H3/b7-6+
InChIKeyPZHDPEMMQGSZBX-VOTSOKGWSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.99
LogP ≤ 52.25
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

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CID 535956
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CID 23238559
CID 123272911
CID 123272911
(NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine
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Frequently Asked Questions

What is the IUPAC name of CID 154668407?
The IUPAC name of CID 154668407 (CID 154668407) is not available.
What is the SMILES notation for CID 154668407?
The canonical SMILES for CID 154668407 is [B]/C(=C/CCC)CC.
What is the InChIKey of CID 154668407?
The InChIKey is PZHDPEMMQGSZBX-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13B/c1-3-5-6-7(8)4-2/h6H,3-5H2,1-2H3/b7-6+.
What are the key properties of CID 154668407?
CID 154668407 has a molecular weight of 107.99 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154668407 is sourced from PubChem (CID 154668407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).