propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)

C44H88 — CID 162289417

IUPACpropane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)
SMILESCC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.CCC.CCC
InChIInChI=1S/2C19H36.2C3H8/c2*1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8;2*1-3-2/h2*10-19H,9H2,1-8H3;2*3H2,1-2H3
InChIKeyGVIXYRGYYAUJNJ-UHFFFAOYSA-N
MW617.19 g/mol
LogP14.28
Rot. Bonds4

About propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)

propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane) (PubChem CID 162289417) has the molecular formula C44H88 and a molecular weight of 617.19 g/mol. Its IUPAC name is propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane).

Molecular Properties

Compound Namepropane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)
PubChem CID162289417
Molecular FormulaC44H88
Molecular Weight617.19 g/mol
Exact Mass616.69
IUPAC Namepropane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)
SMILESCC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.CCC.CCC
InChIInChI=1S/2C19H36.2C3H8/c2*1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8;2*1-3-2/h2*10-19H,9H2,1-8H3;2*3H2,1-2H3
InChIKeyGVIXYRGYYAUJNJ-UHFFFAOYSA-N
XLogP14.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.19
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane) with MolForge

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Related Compounds

bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane
CID 162298772
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 90821165
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
1-isocyanato-4-[(4-isocyanato-2,3,5,6-tetramethylcyclohexyl)methyl]-2,3,5,6-tetramethylcyclohexane
CID 18551870
1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
(4R)-1-(methoxymethyl)-2,3,4-trimethylcyclobutane
CID 158086549
1-chloro-2-ethyl-3,4-dimethylcyclobutane
CID 174674861

Frequently Asked Questions

What is the IUPAC name of propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)?
The IUPAC name of propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane) (CID 162289417) is propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane).
What is the SMILES notation for propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)?
The canonical SMILES for propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane) is CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.CCC.CCC.
What is the InChIKey of propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)?
The InChIKey is GVIXYRGYYAUJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H36.2C3H8/c2*1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8;2*1-3-2/h2*10-19H,9H2,1-8H3;2*3H2,1-2H3.
What are the key properties of propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)?
propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane) has a molecular weight of 617.19 g/mol, XLogP of 14.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane) is sourced from PubChem (CID 162289417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).