1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium

C19H33Pr- — CID 145474235

IUPAC1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium
SMILESC[CH-]CCC(C)C(C)CCC(C)C1=CC=C(C)CC1.[Pr]
InChIInChI=1S/C19H33.Pr/c1-6-7-8-16(3)17(4)11-12-18(5)19-13-9-15(2)10-14-19;/h6,9,13,16-18H,7-8,10-12,14H2,1-5H3;/q-1;
InChIKeyXWVPAUDAJOXYOB-UHFFFAOYSA-N
MW402.38 g/mol
LogP6.35
Rot. Bonds8

About 1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium

1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium (PubChem CID 145474235) has the molecular formula C19H33Pr- and a molecular weight of 402.38 g/mol. Its IUPAC name is 1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium.

Molecular Properties

Compound Name1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium
PubChem CID145474235
Molecular FormulaC19H33Pr-
Molecular Weight402.38 g/mol
Exact Mass402.17
IUPAC Name1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium
SMILESC[CH-]CCC(C)C(C)CCC(C)C1=CC=C(C)CC1.[Pr]
InChIInChI=1S/C19H33.Pr/c1-6-7-8-16(3)17(4)11-12-18(5)19-13-9-15(2)10-14-19;/h6,9,13,16-18H,7-8,10-12,14H2,1-5H3;/q-1;
InChIKeyXWVPAUDAJOXYOB-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.38
LogP ≤ 56.35
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

1-methyl-4-pentan-2-ylcyclohexa-1,3-diene
CID 144780795
1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
CID 71404158
1-(1-fluorobutyl)-4-methylcyclohexa-1,3-diene
CID 143594050
1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene
CID 163001074
2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine
CID 91318573
1-methyl-4-[2,2,2-trifluoro-1-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 167017564
5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol
CID 142281390
4-hexan-2-yl-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 145100474
ethane;1-methyl-4-[2-[4-(5-methylhexan-2-yl)cyclohexa-1,3-dien-1-yl]ethynyl]benzene
CID 142292257
1-methyl-4-(2,2,5,5-tetramethylheptan-3-yl)cyclohexa-1,3-diene
CID 123780378
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
1-pentan-2-ylcyclobutene
CID 123526137

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium?
The IUPAC name of 1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium (CID 145474235) is 1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium.
What is the SMILES notation for 1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium?
The canonical SMILES for 1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium is C[CH-]CCC(C)C(C)CCC(C)C1=CC=C(C)CC1.[Pr].
What is the InChIKey of 1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium?
The InChIKey is XWVPAUDAJOXYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33.Pr/c1-6-7-8-16(3)17(4)11-12-18(5)19-13-9-15(2)10-14-19;/h6,9,13,16-18H,7-8,10-12,14H2,1-5H3;/q-1;.
What are the key properties of 1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium?
1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium has a molecular weight of 402.38 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium is sourced from PubChem (CID 145474235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).