(2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane

C20H34O2 — CID 50905554

IUPAC(2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane
SMILESC=C(C)C[C@H]1OC(OC(C)(C)C)C[C@@H]1C(=C)CCC=C(C)C
InChIInChI=1S/C20H34O2/c1-14(2)10-9-11-16(5)17-13-19(22-20(6,7)8)21-18(17)12-15(3)4/h10,17-19H,3,5,9,11-13H2,1-2,4,6-8H3/t17-,18-,19?/m1/s1
InChIKeyDCKZTZKTMILBMV-PWCSWUJKSA-N
MW306.49 g/mol
LogP5.80
Rot. Bonds7

About (2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane

(2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane (PubChem CID 50905554) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane.

Molecular Properties

Compound Name(2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane
PubChem CID50905554
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane
SMILESC=C(C)C[C@H]1OC(OC(C)(C)C)C[C@@H]1C(=C)CCC=C(C)C
InChIInChI=1S/C20H34O2/c1-14(2)10-9-11-16(5)17-13-19(22-20(6,7)8)21-18(17)12-15(3)4/h10,17-19H,3,5,9,11-13H2,1-2,4,6-8H3/t17-,18-,19?/m1/s1
InChIKeyDCKZTZKTMILBMV-PWCSWUJKSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane?
The IUPAC name of (2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane (CID 50905554) is (2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane.
What is the SMILES notation for (2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane?
The canonical SMILES for (2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane is C=C(C)C[C@H]1OC(OC(C)(C)C)C[C@@H]1C(=C)CCC=C(C)C.
What is the InChIKey of (2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane?
The InChIKey is DCKZTZKTMILBMV-PWCSWUJKSA-N. The full InChI is InChI=1S/C20H34O2/c1-14(2)10-9-11-16(5)17-13-19(22-20(6,7)8)21-18(17)12-15(3)4/h10,17-19H,3,5,9,11-13H2,1-2,4,6-8H3/t17-,18-,19?/m1/s1.
What are the key properties of (2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane?
(2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane has a molecular weight of 306.49 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane is sourced from PubChem (CID 50905554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).