ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene

C17H28O2 — CID 143504986

IUPACethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene
SMILESC/C=c1/c(C)ccc(OCCOCC)/c1=C/C.CC
InChIInChI=1S/C15H22O2.C2H6/c1-5-13-12(4)8-9-15(14(13)6-2)17-11-10-16-7-3;1-2/h5-6,8-9H,7,10-11H2,1-4H3;1-2H3/b13-5-,14-6+;
InChIKeyAENRGPGTEWFMFS-QJXNMKMUSA-N
MW264.41 g/mol
LogP3.04
Rot. Bonds5

About ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene

ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene (PubChem CID 143504986) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene
PubChem CID143504986
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Nameethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene
SMILESC/C=c1/c(C)ccc(OCCOCC)/c1=C/C.CC
InChIInChI=1S/C15H22O2.C2H6/c1-5-13-12(4)8-9-15(14(13)6-2)17-11-10-16-7-3;1-2/h5-6,8-9H,7,10-11H2,1-4H3;1-2H3/b13-5-,14-6+;
InChIKeyAENRGPGTEWFMFS-QJXNMKMUSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(1E)-1-ethoxybuta-1,3-dienyl]-2,3,4,5-tetrahydrooxepine
CID 11287020
6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran
CID 11458036
4-Fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene
CID 169135542
1,2,3-Trimethoxy-4,7,12-trimethyl-9-propan-2-ylbenzo[a]heptalene
CID 12109974
8,9,18,19-Tetrahexoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
CID 132548308
(5R,6S)-5,6-diethoxy-1-methylcyclohexa-1,3-diene
CID 134888756
carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum
CID 135047606
(2E,4E,6E,8Z)-4-ethoxy-5-[(E)-1-ethoxybut-2-en-2-yl]-10-fluoro-6-prop-2-enylidenedeca-2,4,8-triene
CID 144334413
(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145121909
(3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 145122261
3-(1'-Methylbutylidene)-4,5-dihydrophthalide
CID 6428797
3n-Valeryl-4,5-dihydrophthalide
CID 6428798

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene?
The IUPAC name of ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene (CID 143504986) is ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene?
The canonical SMILES for ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene is C/C=c1/c(C)ccc(OCCOCC)/c1=C/C.CC.
What is the InChIKey of ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene?
The InChIKey is AENRGPGTEWFMFS-QJXNMKMUSA-N. The full InChI is InChI=1S/C15H22O2.C2H6/c1-5-13-12(4)8-9-15(14(13)6-2)17-11-10-16-7-3;1-2/h5-6,8-9H,7,10-11H2,1-4H3;1-2H3/b13-5-,14-6+;.
What are the key properties of ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene?
ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene has a molecular weight of 264.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-1-(2-ethoxyethoxy)-5,6-di(ethylidene)-4-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143504986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).