CID 162307581

C7H8Na — CID 162307581

IUPAC—
SMILESC1=CC=CCC=C1.[Na]
InChIInChI=1S/C7H8.Na/c1-2-4-6-7-5-3-1;/h1-6H,7H2;
InChIKeyUTOHYPVPMOEDRN-UHFFFAOYSA-N
MW115.13 g/mol
LogP1.68
Rot. Bonds

About CID 162307581

CID 162307581 (PubChem CID 162307581) has the molecular formula C7H8Na and a molecular weight of 115.13 g/mol.

Molecular Properties

Compound NameCID 162307581
PubChem CID162307581
Molecular FormulaC7H8Na
Molecular Weight115.13 g/mol
Exact Mass115.05
IUPAC Name—
SMILESC1=CC=CCC=C1.[Na]
InChIInChI=1S/C7H8.Na/c1-2-4-6-7-5-3-1;/h1-6H,7H2;
InChIKeyUTOHYPVPMOEDRN-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 173030461
cyclohepta-1,3,5-triene;molybdenum
CID 158138098
cyclopenta-1,3-diene
CID 159248657
bis(cyclopenta-1,3-diene);samarium
CID 12780607
cobalt;bis(cyclopenta-1,3-diene)
CID 12507894
chromium;cyclopenta-1,3-diene
CID 158699246
sodium cyclopenta-1,3-diene
CID 19606718
potassium cyclopenta-1,3-diene
CID 22494929
cyclopenta-1,3-diene;osmium
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Frequently Asked Questions

What is the IUPAC name of CID 162307581?
The IUPAC name of CID 162307581 (CID 162307581) is not available.
What is the SMILES notation for CID 162307581?
The canonical SMILES for CID 162307581 is C1=CC=CCC=C1.[Na].
What is the InChIKey of CID 162307581?
The InChIKey is UTOHYPVPMOEDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.Na/c1-2-4-6-7-5-3-1;/h1-6H,7H2;.
What are the key properties of CID 162307581?
CID 162307581 has a molecular weight of 115.13 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162307581 is sourced from PubChem (CID 162307581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).