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

C8H14O — CID 118136918

IUPAC(2S,4R)-2,4-dimethyl-3-methylideneoxane
SMILESC=C1[C@H](C)CCO[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+/m1/s1
InChIKeyRNBVUPNRTMXCEC-SVRRBLITSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds

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

(2S,4R)-2,4-dimethyl-3-methylideneoxane (PubChem CID 118136918) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2S,4R)-2,4-dimethyl-3-methylideneoxane.

Molecular Properties

Compound Name(2S,4R)-2,4-dimethyl-3-methylideneoxane
PubChem CID118136918
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2S,4R)-2,4-dimethyl-3-methylideneoxane
SMILESC=C1[C@H](C)CCO[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+/m1/s1
InChIKeyRNBVUPNRTMXCEC-SVRRBLITSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-dimethyl-3-methylideneoxane?
The IUPAC name of (2S,4R)-2,4-dimethyl-3-methylideneoxane (CID 118136918) is (2S,4R)-2,4-dimethyl-3-methylideneoxane.
What is the SMILES notation for (2S,4R)-2,4-dimethyl-3-methylideneoxane?
The canonical SMILES for (2S,4R)-2,4-dimethyl-3-methylideneoxane is C=C1[C@H](C)CCO[C@H]1C.
What is the InChIKey of (2S,4R)-2,4-dimethyl-3-methylideneoxane?
The InChIKey is RNBVUPNRTMXCEC-SVRRBLITSA-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+/m1/s1.
What are the key properties of (2S,4R)-2,4-dimethyl-3-methylideneoxane?
(2S,4R)-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,4R)-2,4-dimethyl-3-methylideneoxane is sourced from PubChem (CID 118136918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).