(2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane

C11H20O — CID 58223654

IUPAC(2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane
SMILESC=CC[C@@H]1O[C@H](C)[C@H](C)C[C@@H]1C
InChIInChI=1S/C11H20O/c1-5-6-11-9(3)7-8(2)10(4)12-11/h5,8-11H,1,6-7H2,2-4H3/t8-,9+,10-,11+/m1/s1
InChIKeyJSUCWOPLRDJFCX-YTWAJWBKSA-N
MW168.28 g/mol
LogP3.01
Rot. Bonds2

About (2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane

(2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane (PubChem CID 58223654) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane.

Molecular Properties

Compound Name(2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane
PubChem CID58223654
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane
SMILESC=CC[C@@H]1O[C@H](C)[C@H](C)C[C@@H]1C
InChIInChI=1S/C11H20O/c1-5-6-11-9(3)7-8(2)10(4)12-11/h5,8-11H,1,6-7H2,2-4H3/t8-,9+,10-,11+/m1/s1
InChIKeyJSUCWOPLRDJFCX-YTWAJWBKSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.01
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,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane?
The IUPAC name of (2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane (CID 58223654) is (2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane.
What is the SMILES notation for (2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane?
The canonical SMILES for (2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane is C=CC[C@@H]1O[C@H](C)[C@H](C)C[C@@H]1C.
What is the InChIKey of (2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane?
The InChIKey is JSUCWOPLRDJFCX-YTWAJWBKSA-N. The full InChI is InChI=1S/C11H20O/c1-5-6-11-9(3)7-8(2)10(4)12-11/h5,8-11H,1,6-7H2,2-4H3/t8-,9+,10-,11+/m1/s1.
What are the key properties of (2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane?
(2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane has a molecular weight of 168.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6S)-2,3,5-trimethyl-6-prop-2-enyloxane is sourced from PubChem (CID 58223654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).