(2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane

C11H20OS — CID 10655668

IUPAC(2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane
SMILESC/C=C1\OCCSC1(CC)CCC
InChIInChI=1S/C11H20OS/c1-4-7-11(6-3)10(5-2)12-8-9-13-11/h5H,4,6-9H2,1-3H3/b10-5-
InChIKeyBCNIWDRPCMYUMN-YHYXMXQVSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds3

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

(2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane (PubChem CID 10655668) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane.

Molecular Properties

Compound Name(2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane
PubChem CID10655668
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane
SMILESC/C=C1\OCCSC1(CC)CCC
InChIInChI=1S/C11H20OS/c1-4-7-11(6-3)10(5-2)12-8-9-13-11/h5H,4,6-9H2,1-3H3/b10-5-
InChIKeyBCNIWDRPCMYUMN-YHYXMXQVSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane?
The IUPAC name of (2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane (CID 10655668) is (2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane.
What is the SMILES notation for (2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane?
The canonical SMILES for (2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane is C/C=C1\OCCSC1(CC)CCC.
What is the InChIKey of (2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane?
The InChIKey is BCNIWDRPCMYUMN-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H20OS/c1-4-7-11(6-3)10(5-2)12-8-9-13-11/h5H,4,6-9H2,1-3H3/b10-5-.
What are the key properties of (2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane?
(2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane is sourced from PubChem (CID 10655668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).