(2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene

C17H28O2 — CID 134840558

IUPAC(2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene
SMILESCC(C)[C@@H]1C=C[C@@]2(CCC/C=C\CO2)O[C@H]1C(C)C
InChIInChI=1S/C17H28O2/c1-13(2)15-9-11-17(19-16(15)14(3)4)10-7-5-6-8-12-18-17/h6,8-9,11,13-16H,5,7,10,12H2,1-4H3/b8-6-/t15-,16-,17+/m0/s1
InChIKeyRVEBLVASLAIYNT-YDGWFDQOSA-N
MW264.41 g/mol
LogP4.32
Rot. Bonds2

About (2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene

(2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene (PubChem CID 134840558) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene.

Molecular Properties

Compound Name(2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene
PubChem CID134840558
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene
SMILESCC(C)[C@@H]1C=C[C@@]2(CCC/C=C\CO2)O[C@H]1C(C)C
InChIInChI=1S/C17H28O2/c1-13(2)15-9-11-17(19-16(15)14(3)4)10-7-5-6-8-12-18-17/h6,8-9,11,13-16H,5,7,10,12H2,1-4H3/b8-6-/t15-,16-,17+/m0/s1
InChIKeyRVEBLVASLAIYNT-YDGWFDQOSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.32
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 (2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene?
The IUPAC name of (2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene (CID 134840558) is (2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene.
What is the SMILES notation for (2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene?
The canonical SMILES for (2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene is CC(C)[C@@H]1C=C[C@@]2(CCC/C=C\CO2)O[C@H]1C(C)C.
What is the InChIKey of (2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene?
The InChIKey is RVEBLVASLAIYNT-YDGWFDQOSA-N. The full InChI is InChI=1S/C17H28O2/c1-13(2)15-9-11-17(19-16(15)14(3)4)10-7-5-6-8-12-18-17/h6,8-9,11,13-16H,5,7,10,12H2,1-4H3/b8-6-/t15-,16-,17+/m0/s1.
What are the key properties of (2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene?
(2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene has a molecular weight of 264.41 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R,10Z)-2,3-di(propan-2-yl)-1,13-dioxaspiro[5.7]trideca-4,10-diene is sourced from PubChem (CID 134840558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).