molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane

C20H42 — CID 143412498

IUPACmolecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane
SMILESC=C(CC)CC[C@@]1(C)C(C)CC[C@@H]1CCCCC(C)C.[H][H].[H][H]
InChIInChI=1S/C20H38.2H2/c1-7-17(4)14-15-20(6)18(5)12-13-19(20)11-9-8-10-16(2)3;;/h16,18-19H,4,7-15H2,1-3,5-6H3;2*1H/t18?,19-,20-;;/m0../s1
InChIKeyLQYHGHXEUUVIBH-BJCIGMQLSA-N
MW282.56 g/mol
LogP7.49
Rot. Bonds9

About molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane

molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane (PubChem CID 143412498) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane.

Molecular Properties

Compound Namemolecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane
PubChem CID143412498
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Namemolecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane
SMILESC=C(CC)CC[C@@]1(C)C(C)CC[C@@H]1CCCCC(C)C.[H][H].[H][H]
InChIInChI=1S/C20H38.2H2/c1-7-17(4)14-15-20(6)18(5)12-13-19(20)11-9-8-10-16(2)3;;/h16,18-19H,4,7-15H2,1-3,5-6H3;2*1H/t18?,19-,20-;;/m0../s1
InChIKeyLQYHGHXEUUVIBH-BJCIGMQLSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.49
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'}

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane?
The IUPAC name of molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane (CID 143412498) is molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane.
What is the SMILES notation for molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane?
The canonical SMILES for molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane is C=C(CC)CC[C@@]1(C)C(C)CC[C@@H]1CCCCC(C)C.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane?
The InChIKey is LQYHGHXEUUVIBH-BJCIGMQLSA-N. The full InChI is InChI=1S/C20H38.2H2/c1-7-17(4)14-15-20(6)18(5)12-13-19(20)11-9-8-10-16(2)3;;/h16,18-19H,4,7-15H2,1-3,5-6H3;2*1H/t18?,19-,20-;;/m0../s1.
What are the key properties of molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane?
molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane has a molecular weight of 282.56 g/mol, XLogP of 7.49, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane is sourced from PubChem (CID 143412498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).