1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum

C13H14Mo — CID 151708512

IUPAC1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum
SMILESCC(=[Mo])C(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C13H14.Mo/c1-2-13(11-7-3-4-8-11)12-9-5-6-10-12;/h3-13H,1H3;
InChIKeyCKRGKZQTATXYIE-UHFFFAOYSA-N
MW266.20 g/mol
LogP2.83
Rot. Bonds3

About 1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum

1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum (PubChem CID 151708512) has the molecular formula C13H14Mo and a molecular weight of 266.20 g/mol. Its IUPAC name is 1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum.

Molecular Properties

Compound Name1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum
PubChem CID151708512
Molecular FormulaC13H14Mo
Molecular Weight266.20 g/mol
Exact Mass268.01
IUPAC Name1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum
SMILESCC(=[Mo])C(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C13H14.Mo/c1-2-13(11-7-3-4-8-11)12-9-5-6-10-12;/h3-13H,1H3;
InChIKeyCKRGKZQTATXYIE-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclopenta-2,4-dien-1-yl(trimethylgermyl)methanol
CID 154421389
ethane;5-methylcyclopenta-1,3-diene
CID 91295870
carbon monoxide;manganese;5-methylcyclopenta-1,3-diene
CID 139595537
1-cyclopenta-2,4-dien-1-ylethyl acetate
CID 12658220
1-[(1S,2Z,4Z,6Z,8R)-9-azabicyclo[6.1.0]nona-2,4,6-trien-9-yl]ethanone
CID 13012599
acetic acid;cyclohexa-3,5-diene-1,2-diol
CID 71339851
2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium
CID 154416903
cobalt;cyclopentane;5-methylcyclopenta-1,3-diene
CID 172773406
2,2-di(cyclopenta-2,4-dien-1-yl)ethanol;zirconium(3+);trichloride
CID 157325487
(S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine
CID 102238479
bis(1-cyclopenta-2,4-dien-1-ylethanone);iron
CID 176507815
2-cyclohepta-2,4,6-trien-1-ylpropanal
CID 14182945

Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum?
The IUPAC name of 1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum (CID 151708512) is 1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum.
What is the SMILES notation for 1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum?
The canonical SMILES for 1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum is CC(=[Mo])C(C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of 1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum?
The InChIKey is CKRGKZQTATXYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.Mo/c1-2-13(11-7-3-4-8-11)12-9-5-6-10-12;/h3-13H,1H3;.
What are the key properties of 1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum?
1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum has a molecular weight of 266.20 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclopenta-2,4-dien-1-yl)propan-2-ylidenemolybdenum is sourced from PubChem (CID 151708512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).