cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane

C9H18 — CID 59954464

IUPACcis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C9H18/c1-7(2)9-6-4-5-8(9)3/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyCGWXYEIWDQDFIU-IUCAKERBSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds1

About cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane

cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane (PubChem CID 59954464) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Namecis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
PubChem CID59954464
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namecis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C9H18/c1-7(2)9-6-4-5-8(9)3/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyCGWXYEIWDQDFIU-IUCAKERBSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
formamide;1-methyl-2-propan-2-ylcyclohexane
CID 174972223
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
cis-(1R,2S)-1-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopentane
CID 163236440
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane
CID 162297410
N-methyl-1-[(2S)-2-methylcyclohexyl]ethanamine
CID 89083214
trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane
CID 172588830
trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane
CID 167274571
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
1-(2-methylcyclopentyl)propylphosphane
CID 176966789

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane?
The IUPAC name of cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane (CID 59954464) is cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane.
What is the SMILES notation for cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane?
The canonical SMILES for cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane is CC(C)[C@@H]1CCC[C@@H]1C.
What is the InChIKey of cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane?
The InChIKey is CGWXYEIWDQDFIU-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18/c1-7(2)9-6-4-5-8(9)3/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane?
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane is sourced from PubChem (CID 59954464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).