(2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane

C10H18O2 — CID 11446581

IUPAC(2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane
SMILESC=C(C)[C@@H]1CC[C@H](C)[C@@H](OC)O1
InChIInChI=1S/C10H18O2/c1-7(2)9-6-5-8(3)10(11-4)12-9/h8-10H,1,5-6H2,2-4H3/t8-,9-,10-/m0/s1
InChIKeyUUHHUTILNLINET-GUBZILKMSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds2

About (2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane

(2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane (PubChem CID 11446581) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane.

Molecular Properties

Compound Name(2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane
PubChem CID11446581
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane
SMILESC=C(C)[C@@H]1CC[C@H](C)[C@@H](OC)O1
InChIInChI=1S/C10H18O2/c1-7(2)9-6-5-8(3)10(11-4)12-9/h8-10H,1,5-6H2,2-4H3/t8-,9-,10-/m0/s1
InChIKeyUUHHUTILNLINET-GUBZILKMSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
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

6-Isobutyl-4-methylene-2-ethoxytetrahydro-2h-pyran
CID 129746167
2-Ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
CID 21339254
4,5-Dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane
CID 23286510
(4R,5S)-2,5-dimethyl-4-(3-methylbut-3-enyl)-1,3-dioxane
CID 57792614
(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
4-(2,5-Dimethyl-1,3-dioxan-4-yl)-2-methylpent-1-en-3-ol
CID 58822546
(3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
CID 59163670
2,3,4-Trimethyl-8-methylidene-1,10-dioxaspiro[4.5]decane
CID 59761130
(3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 123210808
(3R,4S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 123802921

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane?
The IUPAC name of (2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane (CID 11446581) is (2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane.
What is the SMILES notation for (2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane?
The canonical SMILES for (2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane is C=C(C)[C@@H]1CC[C@H](C)[C@@H](OC)O1.
What is the InChIKey of (2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane?
The InChIKey is UUHHUTILNLINET-GUBZILKMSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)9-6-5-8(3)10(11-4)12-9/h8-10H,1,5-6H2,2-4H3/t8-,9-,10-/m0/s1.
What are the key properties of (2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane?
(2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane is sourced from PubChem (CID 11446581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).