(4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene

C15H24O2 — CID 91750742

IUPAC(4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene
SMILESCC1(C)/C=C/CC2(C)O[C@H]2CCC2(C)O[C@@H]2C1
InChIInChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)11(16-14)6-9-15(4)12(10-13)17-15/h5,7,11-12H,6,8-10H2,1-4H3/b7-5+/t11-,12+,14?,15?/m0/s1
InChIKeyUFBUQKAQYQDEOE-BADLRYISSA-N
MW236.35 g/mol
LogP3.46
Rot. Bonds

About (4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene

(4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene (PubChem CID 91750742) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene.

Molecular Properties

Compound Name(4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene
PubChem CID91750742
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene
SMILESCC1(C)/C=C/CC2(C)O[C@H]2CCC2(C)O[C@@H]2C1
InChIInChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)11(16-14)6-9-15(4)12(10-13)17-15/h5,7,11-12H,6,8-10H2,1-4H3/b7-5+/t11-,12+,14?,15?/m0/s1
InChIKeyUFBUQKAQYQDEOE-BADLRYISSA-N
XLogP3.46
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene?
The IUPAC name of (4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene (CID 91750742) is (4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene.
What is the SMILES notation for (4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene?
The canonical SMILES for (4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene is CC1(C)/C=C/CC2(C)O[C@H]2CCC2(C)O[C@@H]2C1.
What is the InChIKey of (4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene?
The InChIKey is UFBUQKAQYQDEOE-BADLRYISSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)11(16-14)6-9-15(4)12(10-13)17-15/h5,7,11-12H,6,8-10H2,1-4H3/b7-5+/t11-,12+,14?,15?/m0/s1.
What are the key properties of (4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene?
(4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene has a molecular weight of 236.35 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,8E,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene is sourced from PubChem (CID 91750742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).