(2S,4S)-2,4-dimethyl-3-methylideneoxane

C8H14O — CID 89358388

IUPAC(2S,4S)-2,4-dimethyl-3-methylideneoxane
SMILESC=C1[C@H](C)OCC[C@@H]1C
InChIInChI=1S/C8H14O/c1-6-4-5-9-8(3)7(6)2/h6,8H,2,4-5H2,1,3H3/t6-,8-/m0/s1
InChIKeyRNBVUPNRTMXCEC-XPUUQOCRSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds

About (2S,4S)-2,4-dimethyl-3-methylideneoxane

(2S,4S)-2,4-dimethyl-3-methylideneoxane (PubChem CID 89358388) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2S,4S)-2,4-dimethyl-3-methylideneoxane.

Molecular Properties

Compound Name(2S,4S)-2,4-dimethyl-3-methylideneoxane
PubChem CID89358388
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2S,4S)-2,4-dimethyl-3-methylideneoxane
SMILESC=C1[C@H](C)OCC[C@@H]1C
InChIInChI=1S/C8H14O/c1-6-4-5-9-8(3)7(6)2/h6,8H,2,4-5H2,1,3H3/t6-,8-/m0/s1
InChIKeyRNBVUPNRTMXCEC-XPUUQOCRSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Rose oxide
CID 27866
Rose oxide, cis-(-)-
CID 1712087
Rose oxide, cis-(+)-
CID 6432154
Rose oxide, trans-(-)-
CID 7093102
2,5-Diethenyltetrahydro-2H-pyran
CID 33151
Rose oxide, trans-(+)-
CID 1712086
3,6-Diethenyltetrahydro-2-methyl-2H-pyran
CID 4417734
(r)-5-Ethyl-2-methylene-tetrahydro-pyran
CID 14892305
[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
2-Prop-1-en-2-yloxane
CID 68849969
2-(4-Methylpent-1-en-2-yl)oxane
CID 70645404
2,3-Bis(1-fluoroethenyl)-4-methyloxane
CID 121328499

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,4-dimethyl-3-methylideneoxane?
The IUPAC name of (2S,4S)-2,4-dimethyl-3-methylideneoxane (CID 89358388) is (2S,4S)-2,4-dimethyl-3-methylideneoxane.
What is the SMILES notation for (2S,4S)-2,4-dimethyl-3-methylideneoxane?
The canonical SMILES for (2S,4S)-2,4-dimethyl-3-methylideneoxane is C=C1[C@H](C)OCC[C@@H]1C.
What is the InChIKey of (2S,4S)-2,4-dimethyl-3-methylideneoxane?
The InChIKey is RNBVUPNRTMXCEC-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-5-9-8(3)7(6)2/h6,8H,2,4-5H2,1,3H3/t6-,8-/m0/s1.
What are the key properties of (2S,4S)-2,4-dimethyl-3-methylideneoxane?
(2S,4S)-2,4-dimethyl-3-methylideneoxane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,4-dimethyl-3-methylideneoxane is sourced from PubChem (CID 89358388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).