(2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane

C9H16O2 — CID 163555008

IUPAC(2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane
SMILESC=C1C[C@@](C)(OC)C[C@H](C)O1
InChIInChI=1S/C9H16O2/c1-7-5-9(3,10-4)6-8(2)11-7/h8H,1,5-6H2,2-4H3/t8-,9+/m0/s1
InChIKeyFMGZYMZKASZVJH-DTWKUNHWSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds1

About (2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane

(2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane (PubChem CID 163555008) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane
PubChem CID163555008
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane
SMILESC=C1C[C@@](C)(OC)C[C@H](C)O1
InChIInChI=1S/C9H16O2/c1-7-5-9(3,10-4)6-8(2)11-7/h8H,1,5-6H2,2-4H3/t8-,9+/m0/s1
InChIKeyFMGZYMZKASZVJH-DTWKUNHWSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Methylprop-2-enyl)oxan-4-ol
CID 101891443
3,4,6-Trimethyl-2-methylideneoxane
CID 20614547
(2R,3R)-2,3-dimethyl-6-methylideneoxane
CID 58223661
4-Methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane
CID 67949232
2,3-Dimethyl-6-methylideneoxane
CID 76707743
(2S,4R)-2,4-dimethyl-6-methylideneoxane
CID 89243381
(Z)-4-(MethoxyMethylene)-2,2-diMethyltetrahydro-2H-pyran
CID 91827950
(4E)-4-(methoxymethylidene)-2,2-dimethyloxane
CID 117759949
2,3-Dimethyl-6-methylideneoxan-4-ol
CID 123203085
4-(methoxymethylene)-2,2-dimethyltetrahydro-2H-pyran
CID 130851574
2-Methyl-4-[1-(2-methyloxan-4-yl)ethenoxymethyl]oxane
CID 142140596
(2S)-2,4-dimethyl-6-methylideneoxane
CID 163525605

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane?
The IUPAC name of (2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane (CID 163555008) is (2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane.
What is the SMILES notation for (2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane?
The canonical SMILES for (2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane is C=C1C[C@@](C)(OC)C[C@H](C)O1.
What is the InChIKey of (2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane?
The InChIKey is FMGZYMZKASZVJH-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-5-9(3,10-4)6-8(2)11-7/h8H,1,5-6H2,2-4H3/t8-,9+/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane?
(2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane is sourced from PubChem (CID 163555008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).