(2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane

C10H18OS — CID 10797652

IUPAC(2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane
SMILESC/C=C1\OCCSC1(CC)CC
InChIInChI=1S/C10H18OS/c1-4-9-10(5-2,6-3)12-8-7-11-9/h4H,5-8H2,1-3H3/b9-4-
InChIKeyNZVMRJGMLVWJPG-WTKPLQERSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds2

About (2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane

(2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane (PubChem CID 10797652) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane.

Molecular Properties

Compound Name(2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane
PubChem CID10797652
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane
SMILESC/C=C1\OCCSC1(CC)CC
InChIInChI=1S/C10H18OS/c1-4-9-10(5-2,6-3)12-8-7-11-9/h4H,5-8H2,1-3H3/b9-4-
InChIKeyNZVMRJGMLVWJPG-WTKPLQERSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane?
The IUPAC name of (2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane (CID 10797652) is (2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane.
What is the SMILES notation for (2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane?
The canonical SMILES for (2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane is C/C=C1\OCCSC1(CC)CC.
What is the InChIKey of (2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane?
The InChIKey is NZVMRJGMLVWJPG-WTKPLQERSA-N. The full InChI is InChI=1S/C10H18OS/c1-4-9-10(5-2,6-3)12-8-7-11-9/h4H,5-8H2,1-3H3/b9-4-.
What are the key properties of (2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane?
(2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane has a molecular weight of 186.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane is sourced from PubChem (CID 10797652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).