(2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane

C9H16O — CID 130179044

IUPAC(2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane
SMILESC=C1[C@H](C)C[C@H](C)O[C@@H]1C
InChIInChI=1S/C9H16O/c1-6-5-7(2)10-9(4)8(6)3/h6-7,9H,3,5H2,1-2,4H3/t6-,7+,9-/m1/s1
InChIKeyQFSGPMBHRLQQJR-BKPPORCPSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds

About (2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane

(2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane (PubChem CID 130179044) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane.

Molecular Properties

Compound Name(2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane
PubChem CID130179044
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane
SMILESC=C1[C@H](C)C[C@H](C)O[C@@H]1C
InChIInChI=1S/C9H16O/c1-6-5-7(2)10-9(4)8(6)3/h6-7,9H,3,5H2,1-2,4H3/t6-,7+,9-/m1/s1
InChIKeyQFSGPMBHRLQQJR-BKPPORCPSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
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 (2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane?
The IUPAC name of (2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane (CID 130179044) is (2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane.
What is the SMILES notation for (2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane?
The canonical SMILES for (2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane is C=C1[C@H](C)C[C@H](C)O[C@@H]1C.
What is the InChIKey of (2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane?
The InChIKey is QFSGPMBHRLQQJR-BKPPORCPSA-N. The full InChI is InChI=1S/C9H16O/c1-6-5-7(2)10-9(4)8(6)3/h6-7,9H,3,5H2,1-2,4H3/t6-,7+,9-/m1/s1.
What are the key properties of (2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane?
(2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane is sourced from PubChem (CID 130179044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).