CID 172706336

C8H14Li — CID 172706336

IUPAC—
SMILESC#CCCCCCC.[Li]
InChIInChI=1S/C8H14.Li/c1-3-5-7-8-6-4-2;/h1H,4-8H2,2H3;
InChIKeyDQGSCCRXPKZBJL-UHFFFAOYSA-N
MW117.14 g/mol
LogP2.21
Rot. Bonds4

About CID 172706336

CID 172706336 (PubChem CID 172706336) has the molecular formula C8H14Li and a molecular weight of 117.14 g/mol.

Molecular Properties

Compound NameCID 172706336
PubChem CID172706336
Molecular FormulaC8H14Li
Molecular Weight117.14 g/mol
Exact Mass117.13
IUPAC Name—
SMILESC#CCCCCCC.[Li]
InChIInChI=1S/C8H14.Li/c1-3-5-7-8-6-4-2;/h1H,4-8H2,2H3;
InChIKeyDQGSCCRXPKZBJL-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.14
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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heptatriaconta-1,36-diyne
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11-chlorohexadec-1-yne
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9-(hexoxymethoxy)non-1-yne
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9-(octoxymethoxy)non-1-yne
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nonadec-18-yn-8-one
CID 142782006
cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane
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Frequently Asked Questions

What is the IUPAC name of CID 172706336?
The IUPAC name of CID 172706336 (CID 172706336) is not available.
What is the SMILES notation for CID 172706336?
The canonical SMILES for CID 172706336 is C#CCCCCCC.[Li].
What is the InChIKey of CID 172706336?
The InChIKey is DQGSCCRXPKZBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.Li/c1-3-5-7-8-6-4-2;/h1H,4-8H2,2H3;.
What are the key properties of CID 172706336?
CID 172706336 has a molecular weight of 117.14 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172706336 is sourced from PubChem (CID 172706336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).