CID 134976605

C14H11 — CID 134976605

IUPAC—
SMILESCc1ccc(C#C[C]2[CH][CH][CH][CH]2)cc1
InChIInChI=1S/C14H11/c1-12-6-8-14(9-7-12)11-10-13-4-2-3-5-13/h2-9H,1H3
InChIKeyOMXMLHTYTZEROM-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.75
Rot. Bonds

About CID 134976605

CID 134976605 (PubChem CID 134976605) has the molecular formula C14H11 and a molecular weight of 179.24 g/mol.

Molecular Properties

Compound NameCID 134976605
PubChem CID134976605
Molecular FormulaC14H11
Molecular Weight179.24 g/mol
Exact Mass179.09
IUPAC Name—
SMILESCc1ccc(C#C[C]2[CH][CH][CH][CH]2)cc1
InChIInChI=1S/C14H11/c1-12-6-8-14(9-7-12)11-10-13-4-2-3-5-13/h2-9H,1H3
InChIKeyOMXMLHTYTZEROM-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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ethane;1-methyl-4-(2-phenylethynyl)benzene
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1,3-dimethyl-5-[2-(4-methylphenyl)ethynyl]benzene
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CID 10951857
CID 10951857
1-methyl-4-[6-(4-methylphenyl)hexa-1,3,5-triynyl]benzene
CID 58986470
1-methyl-4-[2-[2-(4-methylphenyl)ethynylsulfanyl]ethynyl]benzene
CID 71614566
ethane;1-methyl-4-prop-1-ynylbenzene
CID 91181270
methane;1-methyl-4-prop-1-ynylbenzene
CID 143373241
2-(4-methylphenyl)ethyneselenolate
CID 12921639
2-[2-(4-methylphenyl)ethynyl]phenol
CID 20579578
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
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Frequently Asked Questions

What is the IUPAC name of CID 134976605?
The IUPAC name of CID 134976605 (CID 134976605) is not available.
What is the SMILES notation for CID 134976605?
The canonical SMILES for CID 134976605 is Cc1ccc(C#C[C]2[CH][CH][CH][CH]2)cc1.
What is the InChIKey of CID 134976605?
The InChIKey is OMXMLHTYTZEROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11/c1-12-6-8-14(9-7-12)11-10-13-4-2-3-5-13/h2-9H,1H3.
What are the key properties of CID 134976605?
CID 134976605 has a molecular weight of 179.24 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134976605 is sourced from PubChem (CID 134976605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).