(1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane

C12H22O2 — CID 11171610

IUPAC(1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@H]1COCOC
InChIInChI=1S/C12H22O2/c1-9(2)11-6-5-10(3)12(11)7-14-8-13-4/h10-12H,1,5-8H2,2-4H3/t10-,11+,12-/m1/s1
InChIKeyXTJRULYOOFCEDD-GRYCIOLGSA-N
MW198.31 g/mol
LogP2.85
Rot. Bonds5

About (1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane

(1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane (PubChem CID 11171610) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane.

Molecular Properties

Compound Name(1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane
PubChem CID11171610
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@H]1COCOC
InChIInChI=1S/C12H22O2/c1-9(2)11-6-5-10(3)12(11)7-14-8-13-4/h10-12H,1,5-8H2,2-4H3/t10-,11+,12-/m1/s1
InChIKeyXTJRULYOOFCEDD-GRYCIOLGSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane?
The IUPAC name of (1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane (CID 11171610) is (1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane.
What is the SMILES notation for (1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane?
The canonical SMILES for (1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane is C=C(C)[C@@H]1CC[C@@H](C)[C@H]1COCOC.
What is the InChIKey of (1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane?
The InChIKey is XTJRULYOOFCEDD-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)11-6-5-10(3)12(11)7-14-8-13-4/h10-12H,1,5-8H2,2-4H3/t10-,11+,12-/m1/s1.
What are the key properties of (1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane?
(1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane has a molecular weight of 198.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-(methoxymethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentane is sourced from PubChem (CID 11171610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).