CID 10974483

C36H63ClP2Ru+ — CID 10974483

IUPAC—
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru+].[CH]1[CH]CC(P(C2CCCCC2)C2CCCCC2)C[CH]1
InChIInChI=1S/C18H33P.C18H30P.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h16-18H,1-15H2;1,4-5,16-18H,2-3,6-15H2;1H;/q;;;+2/p-1
InChIKeyLTLADVKVKGPPBK-UHFFFAOYSA-M
MW694.37 g/mol
LogP13.06
Rot. Bonds6

About CID 10974483

CID 10974483 (PubChem CID 10974483) has the molecular formula C36H63ClP2Ru+ and a molecular weight of 694.37 g/mol.

Molecular Properties

Compound NameCID 10974483
PubChem CID10974483
Molecular FormulaC36H63ClP2Ru+
Molecular Weight694.37 g/mol
Exact Mass694.31
IUPAC Name—
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru+].[CH]1[CH]CC(P(C2CCCCC2)C2CCCCC2)C[CH]1
InChIInChI=1S/C18H33P.C18H30P.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h16-18H,1-15H2;1,4-5,16-18H,2-3,6-15H2;1H;/q;;;+2/p-1
InChIKeyLTLADVKVKGPPBK-UHFFFAOYSA-M
XLogP13.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.37
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 10974484
CID 10974484
phosphane;tricyclohexylphosphane
CID 87084185
tri(cyclooctyl)phosphane
CID 12970661
tri(cyclododecyl)phosphane
CID 19065577
CID 11297590
CID 11297590
silane;tricyclohexylphosphane
CID 158384701
bis(dicyclohexyl(cyclopentyl)phosphane);iron
CID 44558250
gold(1+);tricyclohexylphosphane
CID 161082953
cobalt(2+);bis(tricyclohexylphosphane);dichloride
CID 171703558
palladium;tricyclopentylphosphane
CID 87488912
dibromocobalt;bis(tricyclohexylphosphane)
CID 159401861
CID 46216941
CID 46216941

Frequently Asked Questions

What is the IUPAC name of CID 10974483?
The IUPAC name of CID 10974483 (CID 10974483) is not available.
What is the SMILES notation for CID 10974483?
The canonical SMILES for CID 10974483 is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru+].[CH]1[CH]CC(P(C2CCCCC2)C2CCCCC2)C[CH]1.
What is the InChIKey of CID 10974483?
The InChIKey is LTLADVKVKGPPBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H33P.C18H30P.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h16-18H,1-15H2;1,4-5,16-18H,2-3,6-15H2;1H;/q;;;+2/p-1.
What are the key properties of CID 10974483?
CID 10974483 has a molecular weight of 694.37 g/mol, XLogP of 13.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10974483 is sourced from PubChem (CID 10974483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).