(1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene

Name: (1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₈O₃ — CID 53235928

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene

SMILESC1=CC[C@H]2O[C@@H]3CCCO[C@@H]3C[C@H]2OC1

InChIInChI=1S/C12H18O3/c1-2-6-13-11-8-12-10(5-3-7-14-12)15-9(11)4-1/h1-2,9-12H,3-8H2/t9-,10-,11-,12-/m1/s1

InChIKeySCTNMTLOLOFYMT-DDHJBXDOSA-N

MW210.27 g/mol

LogP1.67

Rot. Bonds

About (1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene

(1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene (PubChem CID 53235928) has the molecular formula C₁₂H₁₈O₃ and a molecular weight of 210.27 g/mol. Its IUPAC name is (1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene.

Molecular Properties

Compound Name	(1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene
PubChem CID	53235928
Molecular Formula	C₁₂H₁₈O₃
Molecular Weight	210.27 g/mol
Exact Mass	210.13
IUPAC Name	(1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene
SMILES	C1=CC[C@H]2O[C@@H]3CCCO[C@@H]3C[C@H]2OC1
InChI	InChI=1S/C12H18O3/c1-2-6-13-11-8-12-10(5-3-7-14-12)15-9(11)4-1/h1-2,9-12H,3-8H2/t9-,10-,11-,12-/m1/s1
InChIKey	SCTNMTLOLOFYMT-DDHJBXDOSA-N
XLogP	1.67
TPSA	27.69 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.27
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene?

The IUPAC name of (1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene (CID 53235928) is (1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene.

What is the SMILES notation for (1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene?

The canonical SMILES for (1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene is C1=CC[C@H]2O[C@@H]3CCCO[C@@H]3C[C@H]2OC1.

What is the InChIKey of (1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene?

The InChIKey is SCTNMTLOLOFYMT-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H18O3/c1-2-6-13-11-8-12-10(5-3-7-14-12)15-9(11)4-1/h1-2,9-12H,3-8H2/t9-,10-,11-,12-/m1/s1.

What are the key properties of (1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene?

(1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene has a molecular weight of 210.27 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene is sourced from PubChem (CID 53235928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 53235928 — identifiers, structure, computed properties (public domain)

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