[1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene

C16H22O4S — CID 146442043

IUPAC[1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene
SMILESCOCC1(S(=O)(=O)C2(COCc3ccccc3)CC2)CC1
InChIInChI=1S/C16H22O4S/c1-19-12-15(7-8-15)21(17,18)16(9-10-16)13-20-11-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyYZMNJWYXYOJJGQ-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.33
Rot. Bonds8

About [1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene

[1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene (PubChem CID 146442043) has the molecular formula C16H22O4S and a molecular weight of 310.41 g/mol. Its IUPAC name is [1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene.

Molecular Properties

Compound Name[1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene
PubChem CID146442043
Molecular FormulaC16H22O4S
Molecular Weight310.41 g/mol
Exact Mass310.12
IUPAC Name[1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene
SMILESCOCC1(S(=O)(=O)C2(COCc3ccccc3)CC2)CC1
InChIInChI=1S/C16H22O4S/c1-19-12-15(7-8-15)21(17,18)16(9-10-16)13-20-11-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyYZMNJWYXYOJJGQ-UHFFFAOYSA-N
XLogP2.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde
CID 153461531
lithium;hydride;methoxymethylbenzene
CID 174456658
1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 146441811
[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 134289630
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
2-methoxy-2-(phenylmethoxymethyl)cyclopentan-1-one
CID 175604739
formaldehyde;methoxymethylbenzene;tungsten
CID 173357343
methylsulfonylmethoxymethylbenzene
CID 118027529
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of [1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene?
The IUPAC name of [1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene (CID 146442043) is [1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene.
What is the SMILES notation for [1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene?
The canonical SMILES for [1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene is COCC1(S(=O)(=O)C2(COCc3ccccc3)CC2)CC1.
What is the InChIKey of [1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene?
The InChIKey is YZMNJWYXYOJJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4S/c1-19-12-15(7-8-15)21(17,18)16(9-10-16)13-20-11-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3.
What are the key properties of [1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene?
[1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene has a molecular weight of 310.41 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene is sourced from PubChem (CID 146442043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).