(1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

C14H22O5 — CID 70451177

IUPAC(1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
SMILESCC=C[C@@H]1OC2OC(C)(C)OC2[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C14H22O5/c1-6-7-8-9-10(17-13(2,3)16-9)11-12(15-8)19-14(4,5)18-11/h6-12H,1-5H3/t8-,9+,10+,11?,12?/m0/s1
InChIKeyYWVMVOTZMXBNGP-RSUGOBJVSA-N
MW270.32 g/mol
LogP1.96
Rot. Bonds1

About (1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

(1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane (PubChem CID 70451177) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is (1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane.

Molecular Properties

Compound Name(1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
PubChem CID70451177
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
SMILESCC=C[C@@H]1OC2OC(C)(C)OC2[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C14H22O5/c1-6-7-8-9-10(17-13(2,3)16-9)11-12(15-8)19-14(4,5)18-11/h6-12H,1-5H3/t8-,9+,10+,11?,12?/m0/s1
InChIKeyYWVMVOTZMXBNGP-RSUGOBJVSA-N
XLogP1.96
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane?
The IUPAC name of (1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane (CID 70451177) is (1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane.
What is the SMILES notation for (1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane?
The canonical SMILES for (1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane is CC=C[C@@H]1OC2OC(C)(C)OC2[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of (1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane?
The InChIKey is YWVMVOTZMXBNGP-RSUGOBJVSA-N. The full InChI is InChI=1S/C14H22O5/c1-6-7-8-9-10(17-13(2,3)16-9)11-12(15-8)19-14(4,5)18-11/h6-12H,1-5H3/t8-,9+,10+,11?,12?/m0/s1.
What are the key properties of (1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane?
(1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane has a molecular weight of 270.32 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane is sourced from PubChem (CID 70451177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).