(1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane

C21H40 — CID 58219597

IUPAC(1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane
SMILESCC1[C@@H](C)C(C(C)(C)C2[C@@H](C)[C@@H](C)[C@H](C)[C@@H]2C)[C@H](C)[C@@H]1C
InChIInChI=1S/C21H40/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8/h11-20H,1-10H3/t11-,12-,13+,14?,15-,16-,17+,18+,20?/m0/s1
InChIKeyLDJUAPJKQGNMHS-XECKNVTESA-N
MW292.55 g/mol
LogP6.36
Rot. Bonds2

About (1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane

(1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane (PubChem CID 58219597) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is (1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane.

Molecular Properties

Compound Name(1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane
PubChem CID58219597
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name(1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane
SMILESCC1[C@@H](C)C(C(C)(C)C2[C@@H](C)[C@@H](C)[C@H](C)[C@@H]2C)[C@H](C)[C@@H]1C
InChIInChI=1S/C21H40/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8/h11-20H,1-10H3/t11-,12-,13+,14?,15-,16-,17+,18+,20?/m0/s1
InChIKeyLDJUAPJKQGNMHS-XECKNVTESA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane with MolForge

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Related Compounds

2,2-dimethylpropane;ethane;9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91032407
carbanide;iridium tetrahydride;1,2,3,4,5-pentamethylcyclopentane
CID 162298825
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)
CID 162297700
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)
CID 23231302
1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 100992125
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162278753
1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane
CID 123245860
carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)
CID 23229957
1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane
CID 123279609
2-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)propan-2-amine
CID 146429921
bis(tert-butylazanide);chlorotitanium(1+);chlorotitanium(3+);bis(1,2,3,4,5-pentamethylcyclopentane)
CID 23230431

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane?
The IUPAC name of (1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane (CID 58219597) is (1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane.
What is the SMILES notation for (1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane?
The canonical SMILES for (1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane is CC1[C@@H](C)C(C(C)(C)C2[C@@H](C)[C@@H](C)[C@H](C)[C@@H]2C)[C@H](C)[C@@H]1C.
What is the InChIKey of (1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane?
The InChIKey is LDJUAPJKQGNMHS-XECKNVTESA-N. The full InChI is InChI=1S/C21H40/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8/h11-20H,1-10H3/t11-,12-,13+,14?,15-,16-,17+,18+,20?/m0/s1.
What are the key properties of (1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane?
(1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane has a molecular weight of 292.55 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane is sourced from PubChem (CID 58219597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).