(1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene

C19H24O5 — CID 15545581

IUPAC(1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene
SMILESCC1(C)O[C@H]2O[C@@H]3C=C[C@@H](OCc4ccccc4)CO[C@@]3(C)[C@H]2O1
InChIInChI=1S/C19H24O5/c1-18(2)23-16-17(24-18)22-15-10-9-14(12-21-19(15,16)3)20-11-13-7-5-4-6-8-13/h4-10,14-17H,11-12H2,1-3H3/t14-,15-,16+,17-,19-/m1/s1
InChIKeyLELDTYRNMXCSPZ-OGJJZOIMSA-N
MW332.40 g/mol
LogP2.79
Rot. Bonds3

About (1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene

(1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene (PubChem CID 15545581) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is (1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene.

Molecular Properties

Compound Name(1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene
PubChem CID15545581
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name(1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene
SMILESCC1(C)O[C@H]2O[C@@H]3C=C[C@@H](OCc4ccccc4)CO[C@@]3(C)[C@H]2O1
InChIInChI=1S/C19H24O5/c1-18(2)23-16-17(24-18)22-15-10-9-14(12-21-19(15,16)3)20-11-13-7-5-4-6-8-13/h4-10,14-17H,11-12H2,1-3H3/t14-,15-,16+,17-,19-/m1/s1
InChIKeyLELDTYRNMXCSPZ-OGJJZOIMSA-N
XLogP2.79
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene with MolForge

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Related Compounds

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CID 45048567
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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene?
The IUPAC name of (1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene (CID 15545581) is (1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene.
What is the SMILES notation for (1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene?
The canonical SMILES for (1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene is CC1(C)O[C@H]2O[C@@H]3C=C[C@@H](OCc4ccccc4)CO[C@@]3(C)[C@H]2O1.
What is the InChIKey of (1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene?
The InChIKey is LELDTYRNMXCSPZ-OGJJZOIMSA-N. The full InChI is InChI=1S/C19H24O5/c1-18(2)23-16-17(24-18)22-15-10-9-14(12-21-19(15,16)3)20-11-13-7-5-4-6-8-13/h4-10,14-17H,11-12H2,1-3H3/t14-,15-,16+,17-,19-/m1/s1.
What are the key properties of (1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene?
(1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene has a molecular weight of 332.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene is sourced from PubChem (CID 15545581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).