dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

C30H50Cl2OPd — CID 126843352

IUPACdichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
SMILESC=C1CCC2CC1C2(C)C.CC1=CCC2CC1C2(C)C.CC1=CC[C@H](C(C)(C)O)CC1.Cl[Pd]Cl
InChIInChI=1S/C10H18O.2C10H16.2ClH.Pd/c1-8-4-6-9(7-5-8)10(2,3)11;2*1-7-4-5-8-6-9(7)10(8,2)3;;;/h4,9,11H,5-7H2,1-3H3;4,8-9H,5-6H2,1-3H3;8-9H,1,4-6H2,2-3H3;2*1H;/q;;;;;+2/p-2/t9-;;;;;/m0...../s1
InChIKeyHYPIQUJQUYRLKB-SADGAIANSA-L
MW604.06 g/mol
LogP9.88
Rot. Bonds1

About dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene (PubChem CID 126843352) has the molecular formula C30H50Cl2OPd and a molecular weight of 604.06 g/mol. Its IUPAC name is dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene.

Molecular Properties

Compound Namedichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
PubChem CID126843352
Molecular FormulaC30H50Cl2OPd
Molecular Weight604.06 g/mol
Exact Mass602.23
IUPAC Namedichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
SMILESC=C1CCC2CC1C2(C)C.CC1=CCC2CC1C2(C)C.CC1=CC[C@H](C(C)(C)O)CC1.Cl[Pd]Cl
InChIInChI=1S/C10H18O.2C10H16.2ClH.Pd/c1-8-4-6-9(7-5-8)10(2,3)11;2*1-7-4-5-8-6-9(7)10(8,2)3;;;/h4,9,11H,5-7H2,1-3H3;4,8-9H,5-6H2,1-3H3;8-9H,1,4-6H2,2-3H3;2*1H;/q;;;;;+2/p-2/t9-;;;;;/m0...../s1
InChIKeyHYPIQUJQUYRLKB-SADGAIANSA-L
XLogP9.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.06
LogP ≤ 59.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene with MolForge

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Related Compounds

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 23186359
ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 145316988
2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 170851609
2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
CID 101418223
2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
CID 6443020
(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene
CID 15939522
2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol
CID 175869435
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexa-1,3-diene;1-methyl-4-propan-2-ylcyclohexa-1,4-diene;1-methyl-4-propan-2-ylidenecyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 158848487
2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol
CID 71438233
2-[(4E,10Z)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl]propan-2-ol
CID 177464486
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylcyclohexene;1-methyl-4-prop-1-en-2-ylcyclohexene
CID 158508884
(1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane
CID 169445693

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?
The IUPAC name of dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene (CID 126843352) is dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene.
What is the SMILES notation for dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?
The canonical SMILES for dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene is C=C1CCC2CC1C2(C)C.CC1=CCC2CC1C2(C)C.CC1=CC[C@H](C(C)(C)O)CC1.Cl[Pd]Cl.
What is the InChIKey of dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?
The InChIKey is HYPIQUJQUYRLKB-SADGAIANSA-L. The full InChI is InChI=1S/C10H18O.2C10H16.2ClH.Pd/c1-8-4-6-9(7-5-8)10(2,3)11;2*1-7-4-5-8-6-9(7)10(8,2)3;;;/h4,9,11H,5-7H2,1-3H3;4,8-9H,5-6H2,1-3H3;8-9H,1,4-6H2,2-3H3;2*1H;/q;;;;;+2/p-2/t9-;;;;;/m0...../s1.
What are the key properties of dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?
dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene has a molecular weight of 604.06 g/mol, XLogP of 9.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene is sourced from PubChem (CID 126843352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).