CID 10859414

C6H7 — CID 10859414

IUPAC—
SMILES[CH]1C=CC=CC1
InChIInChI=1S/C6H7/c1-2-4-6-5-3-1/h1-5H,6H2
InChIKeyVJQDEOZWPXFDIK-UHFFFAOYSA-N
MW79.12 g/mol
LogP1.71
Rot. Bonds

About CID 10859414

CID 10859414 (PubChem CID 10859414) has the molecular formula C6H7 and a molecular weight of 79.12 g/mol.

Molecular Properties

Compound NameCID 10859414
PubChem CID10859414
Molecular FormulaC6H7
Molecular Weight79.12 g/mol
Exact Mass79.05
IUPAC Name—
SMILES[CH]1C=CC=CC1
InChIInChI=1S/C6H7/c1-2-4-6-5-3-1/h1-5H,6H2
InChIKeyVJQDEOZWPXFDIK-UHFFFAOYSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.12
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Cyclopentadiene
CID 7612
1,3-Cyclohexadiene
CID 11605
1,3,7-Octatriene
CID 5365557
1,3-Heptadiene
CID 5462716
1,3,6-Heptatriene
CID 5367381
Octa-1,3,7-triene
CID 101945
Cyclopentadienylium
CID 11966287
Hepta-4,6-diene
CID 137572
Cyclopentadienyl radical
CID 137443
5-Methylene-1,3-cyclohexadiene
CID 140740
Methylene, phenyl-
CID 165074
5-Fluorocyclohexa-1,3-diene
CID 13594374

Frequently Asked Questions

What is the IUPAC name of CID 10859414?
The IUPAC name of CID 10859414 (CID 10859414) is not available.
What is the SMILES notation for CID 10859414?
The canonical SMILES for CID 10859414 is [CH]1C=CC=CC1.
What is the InChIKey of CID 10859414?
The InChIKey is VJQDEOZWPXFDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7/c1-2-4-6-5-3-1/h1-5H,6H2.
What are the key properties of CID 10859414?
CID 10859414 has a molecular weight of 79.12 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10859414 is sourced from PubChem (CID 10859414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).