(3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane

C11H20O2 — CID 123210808

IUPAC(3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
SMILESC=CC1O[C@H](OC)[C@@H](C)C(C)[C@H]1C
InChIInChI=1S/C11H20O2/c1-6-10-8(3)7(2)9(4)11(12-5)13-10/h6-11H,1H2,2-5H3/t7?,8-,9+,10?,11+/m1/s1
InChIKeyLGZHYTDATZWFKK-FNNVPLMUSA-N
MW184.28 g/mol
LogP2.45
Rot. Bonds2

About (3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane

(3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane (PubChem CID 123210808) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane.

Molecular Properties

Compound Name(3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
PubChem CID123210808
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
SMILESC=CC1O[C@H](OC)[C@@H](C)C(C)[C@H]1C
InChIInChI=1S/C11H20O2/c1-6-10-8(3)7(2)9(4)11(12-5)13-10/h6-11H,1H2,2-5H3/t7?,8-,9+,10?,11+/m1/s1
InChIKeyLGZHYTDATZWFKK-FNNVPLMUSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Oct-1-en-3-yloxyoxane
CID 10727282
2-[(2S)-2-methylhept-6-enoxy]oxane
CID 11252841
(2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol
CID 14863224
(3S,4R,5S,6S)-3,5-dimethoxy-7-(methoxymethoxy)-4,6-dimethylhept-1-ene
CID 23635077
2-Ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
CID 21339254
2-(1-Cyclohexylprop-2-enoxy)oxane
CID 54027830
(2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane
CID 58241354
(3R,5R,6R)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 58241359
(3R,4S,6R)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 58241381
(4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane
CID 58658291
(4S,5S)-2,5-dimethyl-4-[(2S)-pent-4-en-2-yl]-1,3-dioxane
CID 58795448
2-[(3R)-hept-1-en-3-yl]oxyoxane
CID 59098330

Frequently Asked Questions

What is the IUPAC name of (3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane?
The IUPAC name of (3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane (CID 123210808) is (3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane.
What is the SMILES notation for (3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane?
The canonical SMILES for (3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane is C=CC1O[C@H](OC)[C@@H](C)C(C)[C@H]1C.
What is the InChIKey of (3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane?
The InChIKey is LGZHYTDATZWFKK-FNNVPLMUSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-10-8(3)7(2)9(4)11(12-5)13-10/h6-11H,1H2,2-5H3/t7?,8-,9+,10?,11+/m1/s1.
What are the key properties of (3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane?
(3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane has a molecular weight of 184.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane is sourced from PubChem (CID 123210808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).