chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene

C14H17Cr- — CID 173362336

IUPACchromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene
SMILESC1=CCCCC=C1.[C-]1=CC=CC=CC1.[Cr]
InChIInChI=1S/C7H10.C7H7.Cr/c2*1-2-4-6-7-5-3-1;/h1-4H,5-7H2;1-5H,6H2;/q;-1;
InChIKeyKCVVFRWUVUNWKY-UHFFFAOYSA-N
MW237.29 g/mol
LogP4.14
Rot. Bonds

About chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene

chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene (PubChem CID 173362336) has the molecular formula C14H17Cr- and a molecular weight of 237.29 g/mol. Its IUPAC name is chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene.

Molecular Properties

Compound Namechromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene
PubChem CID173362336
Molecular FormulaC14H17Cr-
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Namechromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene
SMILESC1=CCCCC=C1.[C-]1=CC=CC=CC1.[Cr]
InChIInChI=1S/C7H10.C7H7.Cr/c2*1-2-4-6-7-5-3-1;/h1-4H,5-7H2;1-5H,6H2;/q;-1;
InChIKeyKCVVFRWUVUNWKY-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
(1Z,3E,5Z)-cyclonona-1,3,5-triene
CID 12652504
(1Z,3Z,5Z,7Z,9Z,11Z,13Z,15Z,17Z,19Z)-cyclopentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 173020880
(1Z,3E,5E,7Z,9E)-cyclotrideca-1,3,5,7,9-pentaene
CID 143640992
cobalt;cycloocta-1,3-diene;cyclopenta-1,3-diene;formaldehyde;prop-1-ene
CID 173123444
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cesium cyclopenta-1,3-diene
CID 18362255
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562
(1E,3Z,8E,10Z)-cyclotetradeca-1,3,8,10-tetraene
CID 173030963

Frequently Asked Questions

What is the IUPAC name of chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene?
The IUPAC name of chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene (CID 173362336) is chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene.
What is the SMILES notation for chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene?
The canonical SMILES for chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene is C1=CCCCC=C1.[C-]1=CC=CC=CC1.[Cr].
What is the InChIKey of chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene?
The InChIKey is KCVVFRWUVUNWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C7H7.Cr/c2*1-2-4-6-7-5-3-1;/h1-4H,5-7H2;1-5H,6H2;/q;-1;.
What are the key properties of chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene?
chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene has a molecular weight of 237.29 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;cyclohepta-1,3-diene;cyclohepta-1,3,5-triene is sourced from PubChem (CID 173362336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).