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

C11H20OS — CID 10845733

IUPAC(2Z)-3,3-diethyl-2-propylidene-1,4-oxathiane
SMILESCC/C=C1\OCCSC1(CC)CC
InChIInChI=1S/C11H20OS/c1-4-7-10-11(5-2,6-3)13-9-8-12-10/h7H,4-6,8-9H2,1-3H3/b10-7-
InChIKeyVGTWYEPCZMCVCB-YFHOEESVSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds3

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

(2Z)-3,3-diethyl-2-propylidene-1,4-oxathiane (PubChem CID 10845733) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (2Z)-3,3-diethyl-2-propylidene-1,4-oxathiane.

Molecular Properties

Compound Name(2Z)-3,3-diethyl-2-propylidene-1,4-oxathiane
PubChem CID10845733
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(2Z)-3,3-diethyl-2-propylidene-1,4-oxathiane
SMILESCC/C=C1\OCCSC1(CC)CC
InChIInChI=1S/C11H20OS/c1-4-7-10-11(5-2,6-3)13-9-8-12-10/h7H,4-6,8-9H2,1-3H3/b10-7-
InChIKeyVGTWYEPCZMCVCB-YFHOEESVSA-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)-3,3-diethyl-2-propylidene-1,4-oxathiane?
The IUPAC name of (2Z)-3,3-diethyl-2-propylidene-1,4-oxathiane (CID 10845733) is (2Z)-3,3-diethyl-2-propylidene-1,4-oxathiane.
What is the SMILES notation for (2Z)-3,3-diethyl-2-propylidene-1,4-oxathiane?
The canonical SMILES for (2Z)-3,3-diethyl-2-propylidene-1,4-oxathiane is CC/C=C1\OCCSC1(CC)CC.
What is the InChIKey of (2Z)-3,3-diethyl-2-propylidene-1,4-oxathiane?
The InChIKey is VGTWYEPCZMCVCB-YFHOEESVSA-N. The full InChI is InChI=1S/C11H20OS/c1-4-7-10-11(5-2,6-3)13-9-8-12-10/h7H,4-6,8-9H2,1-3H3/b10-7-.
What are the key properties of (2Z)-3,3-diethyl-2-propylidene-1,4-oxathiane?
(2Z)-3,3-diethyl-2-propylidene-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)-3,3-diethyl-2-propylidene-1,4-oxathiane is sourced from PubChem (CID 10845733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).