(8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene

C15H24O2 — CID 101215174

IUPAC(8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene
SMILESCC1(C)/C=C\CC2(C)OC2CCC2(C)OC2C1
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-
InChIKeyUFBUQKAQYQDEOE-ALCCZGGFSA-N
MW236.35 g/mol
LogP3.46
Rot. Bonds

About (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene

(8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene (PubChem CID 101215174) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene.

Molecular Properties

Compound Name(8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene
PubChem CID101215174
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene
SMILESCC1(C)/C=C\CC2(C)OC2CCC2(C)OC2C1
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-
InChIKeyUFBUQKAQYQDEOE-ALCCZGGFSA-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'}

Analyze (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene with MolForge

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Related Compounds

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CID 164613726
Squalene dioxide
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CID 24899361
(2R,3R)-2-[2-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-ethenyl-2-methyloxirane
CID 42600406
(2S,3S)-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-2-(4-methylpent-3-enyl)oxirane
CID 71725636
2-(4,8-Dimethylnona-3,7-dienyl)-3-[2-[3-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxirane
CID 91008561
(2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
CID 101489559
(2S,3S)-2-methyl-2-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]-3-pentyloxirane
CID 135074701
(4S,12R)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene
CID 172013339
1,2-Epoxyhumulene
CID 6432846

Frequently Asked Questions

What is the IUPAC name of (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene?
The IUPAC name of (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene (CID 101215174) is (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene.
What is the SMILES notation for (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene?
The canonical SMILES for (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene is CC1(C)/C=C\CC2(C)OC2CCC2(C)OC2C1.
What is the InChIKey of (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene?
The InChIKey is UFBUQKAQYQDEOE-ALCCZGGFSA-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-.
What are the key properties of (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene?
(8Z)-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 (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene is sourced from PubChem (CID 101215174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).