ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane

C18H28O — CID 145278233

IUPACethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane
SMILESC=C/C=C\C(=C/C=C)C1CCC(=COC)CC1.CC
InChIInChI=1S/C16H22O.C2H6/c1-4-6-8-15(7-5-2)16-11-9-14(10-12-16)13-17-3;1-2/h4-8,13,16H,1-2,9-12H2,3H3;1-2H3/b8-6-,14-13-,15-7+;
InChIKeyLIVSOQYKWRLWGK-JAPMBQKMSA-N
MW260.42 g/mol
LogP5.59
Rot. Bonds5

About ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane

ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane (PubChem CID 145278233) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane.

Molecular Properties

Compound Nameethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane
PubChem CID145278233
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Nameethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane
SMILESC=C/C=C\C(=C/C=C)C1CCC(=COC)CC1.CC
InChIInChI=1S/C16H22O.C2H6/c1-4-6-8-15(7-5-2)16-11-9-14(10-12-16)13-17-3;1-2/h4-8,13,16H,1-2,9-12H2,3H3;1-2H3/b8-6-,14-13-,15-7+;
InChIKeyLIVSOQYKWRLWGK-JAPMBQKMSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-1-[4-(methoxymethylidene)cyclohexyl]cyclohexa-1,3-diene
CID 70866784
1-[(2Z,4Z)-1-(4-ethenylcyclohexyl)-2,3-difluorohepta-2,4-dien-4-yl]-4-(methoxymethylidene)cyclohexane
CID 88953247
[(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane
CID 134465870
5-[(3E,6Z,8E,9E)-9-ethyl-8-ethylidene-1-fluoro-10-methoxy-2,6-dimethylundeca-3,6,9-trien-4-yl]-1-methylcyclohexa-1,3-diene
CID 135295017
1-fluoro-1-[(3E,5E,7Z,9E)-4-[(2Z,5E)-6-methoxy-2-methyl-4-methylidene-5-prop-1-en-2-ylhepta-2,5-dienyl]-5,8-dimethylundeca-3,5,7,9-tetraenyl]cyclohexane
CID 135295130
(1E,4Z)-5-[(Z)-1,2-difluoroethenyl]-1-ethoxy-6,9-dimethyldeca-1,4-diene
CID 144455392
trimethyl-[2-[(E)-2-[(5R)-5-methyl-2-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]ethyl]silane
CID 46703422
6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene
CID 122205507
(4Z)-4-(methoxymethylidene)-3-methyl-1-(4-methylpent-3-enyl)cyclohexene
CID 135062658
(6-Methoxyhex-2-EN-2-YL)cyclohexane
CID 3022782
(5-Methoxy-1-methylpenten-1-yl)cyclohexane
CID 6366278
(Z,6E,7E)-2,2-difluoro-7-(methoxymethylidene)-6-prop-2-enylidene-8-propylundec-4-ene
CID 143495768

Frequently Asked Questions

What is the IUPAC name of ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane?
The IUPAC name of ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane (CID 145278233) is ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane.
What is the SMILES notation for ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane?
The canonical SMILES for ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane is C=C/C=C\C(=C/C=C)C1CCC(=COC)CC1.CC.
What is the InChIKey of ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane?
The InChIKey is LIVSOQYKWRLWGK-JAPMBQKMSA-N. The full InChI is InChI=1S/C16H22O.C2H6/c1-4-6-8-15(7-5-2)16-11-9-14(10-12-16)13-17-3;1-2/h4-8,13,16H,1-2,9-12H2,3H3;1-2H3/b8-6-,14-13-,15-7+;.
What are the key properties of ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane?
ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane has a molecular weight of 260.42 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(methoxymethylidene)-4-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexane is sourced from PubChem (CID 145278233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).