cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane

C18H34 — CID 149008004

IUPACcis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane
SMILESCC[C@@H]1CC[C@H](C(C)(C)[C@@H]2CC(C)[C@H](CC)C2)C1
InChIInChI=1S/C18H34/c1-6-14-8-9-16(11-14)18(4,5)17-10-13(3)15(7-2)12-17/h13-17H,6-12H2,1-5H3/t13?,14-,15-,16+,17-/m1/s1
InChIKeyQAYUPDFTVXTQQE-MUOSFQKXSA-N
MW250.47 g/mol
LogP5.91
Rot. Bonds4

About cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane

cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane (PubChem CID 149008004) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane.

Molecular Properties

Compound Namecis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane
PubChem CID149008004
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Namecis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane
SMILESCC[C@@H]1CC[C@H](C(C)(C)[C@@H]2CC(C)[C@H](CC)C2)C1
InChIInChI=1S/C18H34/c1-6-14-8-9-16(11-14)18(4,5)17-10-13(3)15(7-2)12-17/h13-17H,6-12H2,1-5H3/t13?,14-,15-,16+,17-/m1/s1
InChIKeyQAYUPDFTVXTQQE-MUOSFQKXSA-N
XLogP5.91
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 ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane with MolForge

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Related Compounds

4-[2-(4-amino-3-ethylcyclohexyl)propan-2-yl]-2-ethylcyclohexan-1-amine
CID 118035063
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)
CID 162292801
1-ethyl-3-(2-methylbutan-2-yl)cyclopentane
CID 123901390
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen
CID 160718193
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
ethane;1-ethyl-2-methylcyclopropane;propane
CID 142903717
1,3-diethylcyclopentane
CID 530396
2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 64765549
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
2-(2-methylcyclopropyl)ethylcyclohexane
CID 91503845
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911

Frequently Asked Questions

What is the IUPAC name of cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane?
The IUPAC name of cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane (CID 149008004) is cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane.
What is the SMILES notation for cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane?
The canonical SMILES for cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane is CC[C@@H]1CC[C@H](C(C)(C)[C@@H]2CC(C)[C@H](CC)C2)C1.
What is the InChIKey of cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane?
The InChIKey is QAYUPDFTVXTQQE-MUOSFQKXSA-N. The full InChI is InChI=1S/C18H34/c1-6-14-8-9-16(11-14)18(4,5)17-10-13(3)15(7-2)12-17/h13-17H,6-12H2,1-5H3/t13?,14-,15-,16+,17-/m1/s1.
What are the key properties of cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane?
cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane has a molecular weight of 250.47 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane is sourced from PubChem (CID 149008004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).