(4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane

C11H16O — CID 163988823

IUPAC(4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane
SMILESC#C[C@@H]1C[C@H](CC)OC(C)C1=C
InChIInChI=1S/C11H16O/c1-5-10-7-11(6-2)12-9(4)8(10)3/h1,9-11H,3,6-7H2,2,4H3/t9?,10-,11+/m1/s1
InChIKeyTYSZPVDNWFPOAP-ZOCYIJKUSA-N
MW164.25 g/mol
LogP2.38
Rot. Bonds1

About (4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane

(4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane (PubChem CID 163988823) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane.

Molecular Properties

Compound Name(4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane
PubChem CID163988823
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane
SMILESC#C[C@@H]1C[C@H](CC)OC(C)C1=C
InChIInChI=1S/C11H16O/c1-5-10-7-11(6-2)12-9(4)8(10)3/h1,9-11H,3,6-7H2,2,4H3/t9?,10-,11+/m1/s1
InChIKeyTYSZPVDNWFPOAP-ZOCYIJKUSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
2-(4-Methylpent-1-en-2-yl)oxane
CID 70645404
2-Ethynyl-2-hexyl-3-prop-1-en-2-yloxirane
CID 134895715
2-Butyl-2-ethynyl-3-prop-1-en-2-yloxirane
CID 134895785
2-Cyclohexyl-4-methyl-5-methylideneoxane
CID 134966506
[2-Methylidene-3-(2-methylpropoxy)butyl]cyclohexane
CID 176427915
(3-Ethoxy-2-methylidenebutyl)cyclohexane
CID 176427919
2,5-Bis(prop-1-en-2-yl)oxane
CID 12346338
2-(3-Methylbut-1-en-2-yl)oxane
CID 21856062
5-Methylidene-2-propan-2-yloxane
CID 58103633
(2S,4R)-2-ethyl-4-methyl-5-methylideneoxane
CID 118136891
(2R,4R,6S)-6-ethyl-2,4-dimethyl-3-methylideneoxane
CID 118136920

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane?
The IUPAC name of (4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane (CID 163988823) is (4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane.
What is the SMILES notation for (4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane?
The canonical SMILES for (4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane is C#C[C@@H]1C[C@H](CC)OC(C)C1=C.
What is the InChIKey of (4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane?
The InChIKey is TYSZPVDNWFPOAP-ZOCYIJKUSA-N. The full InChI is InChI=1S/C11H16O/c1-5-10-7-11(6-2)12-9(4)8(10)3/h1,9-11H,3,6-7H2,2,4H3/t9?,10-,11+/m1/s1.
What are the key properties of (4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane?
(4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane has a molecular weight of 164.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-ethyl-4-ethynyl-2-methyl-3-methylideneoxane is sourced from PubChem (CID 163988823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).