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

C11H20OS — CID 10655667

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

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

(2Z)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane (PubChem CID 10655667) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (2Z)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane.

Molecular Properties

Compound Name(2Z)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane
PubChem CID10655667
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(2Z)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane
SMILESCCC/C=C1\OCCSC1(C)CC
InChIInChI=1S/C11H20OS/c1-4-6-7-10-11(3,5-2)13-9-8-12-10/h7H,4-6,8-9H2,1-3H3/b10-7-
InChIKeyXIFYZDDYIHDQIK-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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Related Compounds

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6-methyl-3,4-dihydro-2H-thiopyran;7-methyl-2,3,4,5-tetrahydrooxepine
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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)-3-ethyl-2-ethylidene-3-propyl-1,4-oxathiane
CID 10655668
(2Z)-3-ethyl-2-ethylidene-3-methyl-1,4-oxathiane
CID 10678787
(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
CID 15304238
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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane?
The IUPAC name of (2Z)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane (CID 10655667) is (2Z)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane.
What is the SMILES notation for (2Z)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane?
The canonical SMILES for (2Z)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane is CCC/C=C1\OCCSC1(C)CC.
What is the InChIKey of (2Z)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane?
The InChIKey is XIFYZDDYIHDQIK-YFHOEESVSA-N. The full InChI is InChI=1S/C11H20OS/c1-4-6-7-10-11(3,5-2)13-9-8-12-10/h7H,4-6,8-9H2,1-3H3/b10-7-.
What are the key properties of (2Z)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane?
(2Z)-2-butylidene-3-ethyl-3-methyl-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)-2-butylidene-3-ethyl-3-methyl-1,4-oxathiane is sourced from PubChem (CID 10655667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).