CID 134980907

C14H24CrP — CID 134980907

IUPAC—
SMILESC=CCCC=C.CP(C)C.[CH]1C=CC=C1.[Cr]
InChIInChI=1S/C6H10.C5H5.C3H9P.Cr/c1-3-5-6-4-2;1-2-4-5-3-1;1-4(2)3;/h3-4H,1-2,5-6H2;1-5H;1-3H3;
InChIKeyTVCHFSQZLOMLLE-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.81
Rot. Bonds3

About CID 134980907

CID 134980907 (PubChem CID 134980907) has the molecular formula C14H24CrP and a molecular weight of 275.32 g/mol.

Molecular Properties

Compound NameCID 134980907
PubChem CID134980907
Molecular FormulaC14H24CrP
Molecular Weight275.32 g/mol
Exact Mass275.10
IUPAC Name—
SMILESC=CCCC=C.CP(C)C.[CH]1C=CC=C1.[Cr]
InChIInChI=1S/C6H10.C5H5.C3H9P.Cr/c1-3-5-6-4-2;1-2-4-5-3-1;1-4(2)3;/h3-4H,1-2,5-6H2;1-5H;1-3H3;
InChIKeyTVCHFSQZLOMLLE-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134980907?
The IUPAC name of CID 134980907 (CID 134980907) is not available.
What is the SMILES notation for CID 134980907?
The canonical SMILES for CID 134980907 is C=CCCC=C.CP(C)C.[CH]1C=CC=C1.[Cr].
What is the InChIKey of CID 134980907?
The InChIKey is TVCHFSQZLOMLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C5H5.C3H9P.Cr/c1-3-5-6-4-2;1-2-4-5-3-1;1-4(2)3;/h3-4H,1-2,5-6H2;1-5H;1-3H3;.
What are the key properties of CID 134980907?
CID 134980907 has a molecular weight of 275.32 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134980907 is sourced from PubChem (CID 134980907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).