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

C8H14O — CID 89243381

IUPAC(2S,4R)-2,4-dimethyl-6-methylideneoxane
SMILESC=C1C[C@H](C)C[C@H](C)O1
InChIInChI=1S/C8H14O/c1-6-4-7(2)9-8(3)5-6/h6,8H,2,4-5H2,1,3H3/t6-,8-/m0/s1
InChIKeyDOMNSOYKYIWYRD-XPUUQOCRSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds

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

(2S,4R)-2,4-dimethyl-6-methylideneoxane (PubChem CID 89243381) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2S,4R)-2,4-dimethyl-6-methylideneoxane.

Molecular Properties

Compound Name(2S,4R)-2,4-dimethyl-6-methylideneoxane
PubChem CID89243381
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2S,4R)-2,4-dimethyl-6-methylideneoxane
SMILESC=C1C[C@H](C)C[C@H](C)O1
InChIInChI=1S/C8H14O/c1-6-4-7(2)9-8(3)5-6/h6,8H,2,4-5H2,1,3H3/t6-,8-/m0/s1
InChIKeyDOMNSOYKYIWYRD-XPUUQOCRSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-dimethyl-6-methylideneoxane?
The IUPAC name of (2S,4R)-2,4-dimethyl-6-methylideneoxane (CID 89243381) is (2S,4R)-2,4-dimethyl-6-methylideneoxane.
What is the SMILES notation for (2S,4R)-2,4-dimethyl-6-methylideneoxane?
The canonical SMILES for (2S,4R)-2,4-dimethyl-6-methylideneoxane is C=C1C[C@H](C)C[C@H](C)O1.
What is the InChIKey of (2S,4R)-2,4-dimethyl-6-methylideneoxane?
The InChIKey is DOMNSOYKYIWYRD-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-7(2)9-8(3)5-6/h6,8H,2,4-5H2,1,3H3/t6-,8-/m0/s1.
What are the key properties of (2S,4R)-2,4-dimethyl-6-methylideneoxane?
(2S,4R)-2,4-dimethyl-6-methylideneoxane has a molecular weight of 126.20 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4-dimethyl-6-methylideneoxane is sourced from PubChem (CID 89243381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).