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

C9H16OS — CID 10678787

IUPAC(2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane
SMILESC/C=C1\OCCSC1(C)CC
InChIInChI=1S/C9H16OS/c1-4-8-9(3,5-2)11-7-6-10-8/h4H,5-7H2,1-3H3/b8-4-
InChIKeyKUDFWXBERZZOHF-YWEYNIOJSA-N
MW172.29 g/mol
LogP2.82
Rot. Bonds1

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

(2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane (PubChem CID 10678787) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is (2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane.

Molecular Properties

Compound Name(2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane
PubChem CID10678787
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name(2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane
SMILESC/C=C1\OCCSC1(C)CC
InChIInChI=1S/C9H16OS/c1-4-8-9(3,5-2)11-7-6-10-8/h4H,5-7H2,1-3H3/b8-4-
InChIKeyKUDFWXBERZZOHF-YWEYNIOJSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6-methyl-3,4-dihydro-2H-pyran;7-methyl-2,3,4,5-tetrahydrothiepine
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6-methyl-3,4-dihydro-2H-thiopyran;7-methyl-2,3,4,5-tetrahydrooxepine
CID 142050873
6-methyl-3,4-dihydro-2H-pyran;6-methyl-3,4-dihydro-2H-thiopyran
CID 142051048
(3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan
CID 173382775
(2Z)-3-ethyl-3-methyl-2-propylidene-1,4-oxathiane
CID 10631428
(2Z)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane
CID 10655667
(2Z)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane
CID 10655668
(2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane
CID 10797652
(2Z)-3,3-diethyl-2-propylidene-1,4-oxathiane
CID 10845733
3-Ethyl-3-methyl-2-methylidene-1,4-oxathiane
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3,3-Diethyl-2-methylidene-1,4-oxathiane
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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane?
The IUPAC name of (2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane (CID 10678787) is (2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane.
What is the SMILES notation for (2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane?
The canonical SMILES for (2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane is C/C=C1\OCCSC1(C)CC.
What is the InChIKey of (2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane?
The InChIKey is KUDFWXBERZZOHF-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H16OS/c1-4-8-9(3,5-2)11-7-6-10-8/h4H,5-7H2,1-3H3/b8-4-.
What are the key properties of (2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane?
(2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane has a molecular weight of 172.29 g/mol, XLogP of 2.82, 1 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-methyl-1,4-oxathiane is sourced from PubChem (CID 10678787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).