2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene

C18H34 — CID 23571929

IUPAC2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESCCCC(C)C12CCCC1C(C)C(C)C2C(C)C
InChIInChI=1S/C18H34/c1-7-9-13(4)18-11-8-10-16(18)14(5)15(6)17(18)12(2)3/h12-17H,7-11H2,1-6H3
InChIKeyMMPXDXKVMDRJQN-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.77
Rot. Bonds4

About 2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene

2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene (PubChem CID 23571929) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene.

Molecular Properties

Compound Name2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene
PubChem CID23571929
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESCCCC(C)C12CCCC1C(C)C(C)C2C(C)C
InChIInChI=1S/C18H34/c1-7-9-13(4)18-11-8-10-16(18)14(5)15(6)17(18)12(2)3/h12-17H,7-11H2,1-6H3
InChIKeyMMPXDXKVMDRJQN-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene with MolForge

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Related Compounds

1-pentan-2-ylbicyclo[3.1.0]hexane
CID 147905312
2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile
CID 130834446
2-methyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892270
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
1,2,2,3-tetramethyl-1-pentan-2-ylcyclopentane
CID 123500106
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
4-methyl-1-pentan-2-ylcyclohexane-1-carboxylic acid
CID 107889004
3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892409
2-cyclopropyl-2-pentan-2-ylpyrrolidine
CID 107896605
1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol
CID 57000384
4-amino-1-pentan-2-ylcyclohexan-1-ol
CID 107889037
2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892414

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The IUPAC name of 2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene (CID 23571929) is 2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene.
What is the SMILES notation for 2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The canonical SMILES for 2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene is CCCC(C)C12CCCC1C(C)C(C)C2C(C)C.
What is the InChIKey of 2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The InChIKey is MMPXDXKVMDRJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-7-9-13(4)18-11-8-10-16(18)14(5)15(6)17(18)12(2)3/h12-17H,7-11H2,1-6H3.
What are the key properties of 2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene has a molecular weight of 250.47 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene is sourced from PubChem (CID 23571929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).