1,1-diethoxycyclopropane;sulfane

C7H16O2S — CID 175457696

IUPAC1,1-diethoxycyclopropane;sulfane
SMILESCCOC1(OCC)CC1.S
InChIInChI=1S/C7H14O2.H2S/c1-3-8-7(5-6-7)9-4-2;/h3-6H2,1-2H3;1H2
InChIKeyYGOIBGQNMMLHET-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.66
Rot. Bonds4

About 1,1-diethoxycyclopropane;sulfane

1,1-diethoxycyclopropane;sulfane (PubChem CID 175457696) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 1,1-diethoxycyclopropane;sulfane.

Molecular Properties

Compound Name1,1-diethoxycyclopropane;sulfane
PubChem CID175457696
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name1,1-diethoxycyclopropane;sulfane
SMILESCCOC1(OCC)CC1.S
InChIInChI=1S/C7H14O2.H2S/c1-3-8-7(5-6-7)9-4-2;/h3-6H2,1-2H3;1H2
InChIKeyYGOIBGQNMMLHET-UHFFFAOYSA-N
XLogP1.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-diethoxycyclopropane;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,3,3-tetraethoxycyclohexane
CID 151917056
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide
CID 15749122
4,4-diethoxycyclohexene
CID 157062589
4,4-diethoxy-2,2-dimethylpiperidine
CID 166543313
4-(4,4-diethoxypiperidin-1-yl)phenol
CID 69481596
4,4-diethoxy-2,2-diethyloxane
CID 150470923
1,1,3-triethoxycyclohexane
CID 23298942
4,4-diethoxy-1,2-dimethylpiperidine
CID 45093899
1,1-dipropoxycyclodecane
CID 89439642
(5,5-diethoxy-1,3-dithian-2-ylidene)methanone
CID 174550653
1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane
CID 178181403

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxycyclopropane;sulfane?
The IUPAC name of 1,1-diethoxycyclopropane;sulfane (CID 175457696) is 1,1-diethoxycyclopropane;sulfane.
What is the SMILES notation for 1,1-diethoxycyclopropane;sulfane?
The canonical SMILES for 1,1-diethoxycyclopropane;sulfane is CCOC1(OCC)CC1.S.
What is the InChIKey of 1,1-diethoxycyclopropane;sulfane?
The InChIKey is YGOIBGQNMMLHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.H2S/c1-3-8-7(5-6-7)9-4-2;/h3-6H2,1-2H3;1H2.
What are the key properties of 1,1-diethoxycyclopropane;sulfane?
1,1-diethoxycyclopropane;sulfane has a molecular weight of 164.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxycyclopropane;sulfane is sourced from PubChem (CID 175457696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).