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

C11H18O — CID 163095254

IUPAC(2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane
SMILESC=C[C@]1(C)CCC[C@@H](C(=C)C)O1
InChIInChI=1S/C11H18O/c1-5-11(4)8-6-7-10(12-11)9(2)3/h5,10H,1-2,6-8H2,3-4H3/t10-,11+/m0/s1
InChIKeyRGPDUZJTXGUAPI-WDEREUQCSA-N
MW166.26 g/mol
LogP3.08
Rot. Bonds2

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

(2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane (PubChem CID 163095254) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane.

Molecular Properties

Compound Name(2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane
PubChem CID163095254
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane
SMILESC=C[C@]1(C)CCC[C@@H](C(=C)C)O1
InChIInChI=1S/C11H18O/c1-5-11(4)8-6-7-10(12-11)9(2)3/h5,10H,1-2,6-8H2,3-4H3/t10-,11+/m0/s1
InChIKeyRGPDUZJTXGUAPI-WDEREUQCSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 522514
Tetrahydro-5-isopropenyl-2-methyl-2-vinylfuran
CID 61665
trans-5-Isopropenyl-2-methyl-2-vinyltetrahydrofuran
CID 6429213
cis-5-Isopropenyl-2-methyl-2-vinyltetrahydrofuran
CID 21576892
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
cis-Anhydrolinalool oxide
CID 6429212
(2R,5R)-2-Methyl-5-(prop-1-en-2-yl)-2-vinyltetrahydrofuran
CID 21576893
6-Ethenyl-2,2-dimethyloxane
CID 13547826
2-Hept-1-en-2-yloxane
CID 70645400
2-But-1-en-2-yloxane
CID 70645401
2-(4-Methylpent-1-en-2-yl)oxane
CID 70645404
5-Methylidene-2-pentyloxane
CID 118489514

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane?
The IUPAC name of (2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane (CID 163095254) is (2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane.
What is the SMILES notation for (2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane?
The canonical SMILES for (2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane is C=C[C@]1(C)CCC[C@@H](C(=C)C)O1.
What is the InChIKey of (2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane?
The InChIKey is RGPDUZJTXGUAPI-WDEREUQCSA-N. The full InChI is InChI=1S/C11H18O/c1-5-11(4)8-6-7-10(12-11)9(2)3/h5,10H,1-2,6-8H2,3-4H3/t10-,11+/m0/s1.
What are the key properties of (2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane?
(2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane has a molecular weight of 166.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane is sourced from PubChem (CID 163095254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).