cis-(1R,3S)-1-methyl-3-propylcyclopentane

C9H18 — CID 59954450

IUPACcis-(1R,3S)-1-methyl-3-propylcyclopentane
SMILESCCC[C@H]1CC[C@@H](C)C1
InChIInChI=1S/C9H18/c1-3-4-9-6-5-8(2)7-9/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyHRSBIYASWAILIF-BDAKNGLRSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds2

About cis-(1R,3S)-1-methyl-3-propylcyclopentane

cis-(1R,3S)-1-methyl-3-propylcyclopentane (PubChem CID 59954450) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is cis-(1R,3S)-1-methyl-3-propylcyclopentane.

Molecular Properties

Compound Namecis-(1R,3S)-1-methyl-3-propylcyclopentane
PubChem CID59954450
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namecis-(1R,3S)-1-methyl-3-propylcyclopentane
SMILESCCC[C@H]1CC[C@@H](C)C1
InChIInChI=1S/C9H18/c1-3-4-9-6-5-8(2)7-9/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyHRSBIYASWAILIF-BDAKNGLRSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
bis(1-butyl-3-methylcyclopentane);carbanide;zirconium(4+)
CID 23232814
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
1,3-dimethyl-5-propylcyclohexane
CID 13144142
1,3-dimethyl-5-propylcyclohexane;ethane
CID 142054568
1-ethyl-3-methylcyclopentane;methane
CID 144878558
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800
3-propylbicyclo[4.2.0]octane
CID 145186098
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-methyl-3-propylcyclopentane?
The IUPAC name of cis-(1R,3S)-1-methyl-3-propylcyclopentane (CID 59954450) is cis-(1R,3S)-1-methyl-3-propylcyclopentane.
What is the SMILES notation for cis-(1R,3S)-1-methyl-3-propylcyclopentane?
The canonical SMILES for cis-(1R,3S)-1-methyl-3-propylcyclopentane is CCC[C@H]1CC[C@@H](C)C1.
What is the InChIKey of cis-(1R,3S)-1-methyl-3-propylcyclopentane?
The InChIKey is HRSBIYASWAILIF-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18/c1-3-4-9-6-5-8(2)7-9/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-1-methyl-3-propylcyclopentane?
cis-(1R,3S)-1-methyl-3-propylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-methyl-3-propylcyclopentane is sourced from PubChem (CID 59954450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).