ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane

C20H32O2 — CID 143869419

IUPACethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane
SMILESC=CC1=C(/C=C2/C=CC=C[C@@H]2C)OCC(C)O1.CC.CCC
InChIInChI=1S/C15H18O2.C3H8.C2H6/c1-4-14-15(16-10-12(3)17-14)9-13-8-6-5-7-11(13)2;1-3-2;1-2/h4-9,11-12H,1,10H2,2-3H3;3H2,1-2H3;1-2H3/b13-9-;;/t11-,12?;;/m0../s1
InChIKeyMDNOTLBVQSVRDF-TVMNMBFASA-N
MW304.47 g/mol
LogP5.95
Rot. Bonds2

About ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane

ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane (PubChem CID 143869419) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane.

Molecular Properties

Compound Nameethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane
PubChem CID143869419
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Nameethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane
SMILESC=CC1=C(/C=C2/C=CC=C[C@@H]2C)OCC(C)O1.CC.CCC
InChIInChI=1S/C15H18O2.C3H8.C2H6/c1-4-14-15(16-10-12(3)17-14)9-13-8-6-5-7-11(13)2;1-3-2;1-2/h4-9,11-12H,1,10H2,2-3H3;3H2,1-2H3;1-2H3/b13-9-;;/t11-,12?;;/m0../s1
InChIKeyMDNOTLBVQSVRDF-TVMNMBFASA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane?
The IUPAC name of ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane (CID 143869419) is ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane.
What is the SMILES notation for ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane?
The canonical SMILES for ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane is C=CC1=C(/C=C2/C=CC=C[C@@H]2C)OCC(C)O1.CC.CCC.
What is the InChIKey of ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane?
The InChIKey is MDNOTLBVQSVRDF-TVMNMBFASA-N. The full InChI is InChI=1S/C15H18O2.C3H8.C2H6/c1-4-14-15(16-10-12(3)17-14)9-13-8-6-5-7-11(13)2;1-3-2;1-2/h4-9,11-12H,1,10H2,2-3H3;3H2,1-2H3;1-2H3/b13-9-;;/t11-,12?;;/m0../s1.
What are the key properties of ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane?
ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane has a molecular weight of 304.47 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethenyl-2-methyl-5-[(Z)-[(6S)-6-methylcyclohexa-2,4-dien-1-ylidene]methyl]-2,3-dihydro-1,4-dioxine;propane is sourced from PubChem (CID 143869419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).