2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol

C20H32O3 — CID 15275756

IUPAC2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol
SMILESC/C1=C/CC[C@@]2(C)O[C@@H]2/C=C(/C(C)(C)O)CC[C@@]2(C)O[C@@H]2CC1
InChIInChI=1S/C20H32O3/c1-14-7-6-11-19(4)17(23-19)13-15(18(2,3)21)10-12-20(5)16(22-20)9-8-14/h7,13,16-17,21H,6,8-12H2,1-5H3/b14-7-,15-13+/t16-,17-,19-,20-/m1/s1
InChIKeyTWVBIVWLBIJJLR-OLKYCAIYSA-N
MW320.47 g/mol
LogP4.30
Rot. Bonds1

About 2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol

2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol (PubChem CID 15275756) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol
PubChem CID15275756
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol
SMILESC/C1=C/CC[C@@]2(C)O[C@@H]2/C=C(/C(C)(C)O)CC[C@@]2(C)O[C@@H]2CC1
InChIInChI=1S/C20H32O3/c1-14-7-6-11-19(4)17(23-19)13-15(18(2,3)21)10-12-20(5)16(22-20)9-8-14/h7,13,16-17,21H,6,8-12H2,1-5H3/b14-7-,15-13+/t16-,17-,19-,20-/m1/s1
InChIKeyTWVBIVWLBIJJLR-OLKYCAIYSA-N
XLogP4.30
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol?
The IUPAC name of 2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol (CID 15275756) is 2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol?
The canonical SMILES for 2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol is C/C1=C/CC[C@@]2(C)O[C@@H]2/C=C(/C(C)(C)O)CC[C@@]2(C)O[C@@H]2CC1.
What is the InChIKey of 2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol?
The InChIKey is TWVBIVWLBIJJLR-OLKYCAIYSA-N. The full InChI is InChI=1S/C20H32O3/c1-14-7-6-11-19(4)17(23-19)13-15(18(2,3)21)10-12-20(5)16(22-20)9-8-14/h7,13,16-17,21H,6,8-12H2,1-5H3/b14-7-,15-13+/t16-,17-,19-,20-/m1/s1.
What are the key properties of 2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol?
2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol has a molecular weight of 320.47 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2E,6R,8R,11Z,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol is sourced from PubChem (CID 15275756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).