(2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane

C10H16O2 — CID 163669399

IUPAC(2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane
SMILESC=C=C1C[C@H](OC)[C@H](C)[C@H](C)O1
InChIInChI=1S/C10H16O2/c1-5-9-6-10(11-4)7(2)8(3)12-9/h7-8,10H,1,6H2,2-4H3/t7-,8+,10+/m1/s1
InChIKeyJBEVOWOCGJGLLM-WEDXCCLWSA-N
MW168.24 g/mol
LogP2.12
Rot. Bonds1

About (2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane

(2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane (PubChem CID 163669399) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane.

Molecular Properties

Compound Name(2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane
PubChem CID163669399
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane
SMILESC=C=C1C[C@H](OC)[C@H](C)[C@H](C)O1
InChIInChI=1S/C10H16O2/c1-5-9-6-10(11-4)7(2)8(3)12-9/h7-8,10H,1,6H2,2-4H3/t7-,8+,10+/m1/s1
InChIKeyJBEVOWOCGJGLLM-WEDXCCLWSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134937906
2,6-Dimethyl-3-prop-1-en-2-yloxane
CID 3833578
3,4,6-Trimethyl-2-methylideneoxane
CID 20614547
(2R,3R)-2,3-dimethyl-6-methylideneoxane
CID 58223661
2-Methyl-4-prop-1-en-2-yloxane
CID 68321307
2,3-Dimethyl-6-methylideneoxane
CID 76707743
2,3,6-Trimethyl-4-methylideneoxane
CID 89122007
(2S,4R)-2,4-dimethyl-6-methylideneoxane
CID 89243381
(2R)-2-methyl-4-prop-1-en-2-yloxane
CID 90152455
2,3-Dimethyl-6-methylideneoxan-4-ol
CID 123203085

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane?
The IUPAC name of (2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane (CID 163669399) is (2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane.
What is the SMILES notation for (2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane?
The canonical SMILES for (2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane is C=C=C1C[C@H](OC)[C@H](C)[C@H](C)O1.
What is the InChIKey of (2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane?
The InChIKey is JBEVOWOCGJGLLM-WEDXCCLWSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-9-6-10(11-4)7(2)8(3)12-9/h7-8,10H,1,6H2,2-4H3/t7-,8+,10+/m1/s1.
What are the key properties of (2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane?
(2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane has a molecular weight of 168.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane is sourced from PubChem (CID 163669399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).