CID 59340592

C14H22 — CID 59340592

IUPAC—
SMILES[CH]CCC(C)(C)C#CC(C)(C)CC[CH]
InChIInChI=1S/C14H22/c1-7-9-13(3,4)11-12-14(5,6)10-8-2/h1-2H,7-10H2,3-6H3
InChIKeyLWAVYHVJMGPSMT-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.02
Rot. Bonds4

About CID 59340592

CID 59340592 (PubChem CID 59340592) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol.

Molecular Properties

Compound NameCID 59340592
PubChem CID59340592
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name—
SMILES[CH]CCC(C)(C)C#CC(C)(C)CC[CH]
InChIInChI=1S/C14H22/c1-7-9-13(3,4)11-12-14(5,6)10-8-2/h1-2H,7-10H2,3-6H3
InChIKeyLWAVYHVJMGPSMT-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59340592?
The IUPAC name of CID 59340592 (CID 59340592) is not available.
What is the SMILES notation for CID 59340592?
The canonical SMILES for CID 59340592 is [CH]CCC(C)(C)C#CC(C)(C)CC[CH].
What is the InChIKey of CID 59340592?
The InChIKey is LWAVYHVJMGPSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-7-9-13(3,4)11-12-14(5,6)10-8-2/h1-2H,7-10H2,3-6H3.
What are the key properties of CID 59340592?
CID 59340592 has a molecular weight of 190.33 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59340592 is sourced from PubChem (CID 59340592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).