cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane

C9H18O2 — CID 58944665

IUPACcis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane
SMILESCOC[C@@H]1C[C@@H](C)CC1OC
InChIInChI=1S/C9H18O2/c1-7-4-8(6-10-2)9(5-7)11-3/h7-9H,4-6H2,1-3H3/t7-,8+,9?/m1/s1
InChIKeyNYURWWFFVRYAJM-WGTSGOJVSA-N
MW158.24 g/mol
LogP1.69
Rot. Bonds3

About cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane

cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane (PubChem CID 58944665) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane.

Molecular Properties

Compound Namecis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane
PubChem CID58944665
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namecis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane
SMILESCOC[C@@H]1C[C@@H](C)CC1OC
InChIInChI=1S/C9H18O2/c1-7-4-8(6-10-2)9(5-7)11-3/h7-9H,4-6H2,1-3H3/t7-,8+,9?/m1/s1
InChIKeyNYURWWFFVRYAJM-WGTSGOJVSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane?
The IUPAC name of cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane (CID 58944665) is cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane.
What is the SMILES notation for cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane?
The canonical SMILES for cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane is COC[C@@H]1C[C@@H](C)CC1OC.
What is the InChIKey of cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane?
The InChIKey is NYURWWFFVRYAJM-WGTSGOJVSA-N. The full InChI is InChI=1S/C9H18O2/c1-7-4-8(6-10-2)9(5-7)11-3/h7-9H,4-6H2,1-3H3/t7-,8+,9?/m1/s1.
What are the key properties of cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane?
cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane has a molecular weight of 158.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane is sourced from PubChem (CID 58944665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).