ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene

C18H34O — CID 143044684

IUPACethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene
SMILESC/C=C(\C=C/C1=CCCC(C)C1C)OC.CC.CC
InChIInChI=1S/C14H22O.2C2H6/c1-5-14(15-4)10-9-13-8-6-7-11(2)12(13)3;2*1-2/h5,8-12H,6-7H2,1-4H3;2*1-2H3/b10-9-,14-5+;;
InChIKeyQZOZHTXWZGSBTF-CDGNPMRUSA-N
MW266.47 g/mol
LogP6.14
Rot. Bonds3

About ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene

ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene (PubChem CID 143044684) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene.

Molecular Properties

Compound Nameethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene
PubChem CID143044684
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Nameethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene
SMILESC/C=C(\C=C/C1=CCCC(C)C1C)OC.CC.CC
InChIInChI=1S/C14H22O.2C2H6/c1-5-14(15-4)10-9-13-8-6-7-11(2)12(13)3;2*1-2/h5,8-12H,6-7H2,1-4H3;2*1-2H3/b10-9-,14-5+;;
InChIKeyQZOZHTXWZGSBTF-CDGNPMRUSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.14
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

1-methoxy-5,6-dimethylcyclohexene
CID 129151578
(1Z,5E)-9-methoxy-2,5,10-trimethylcyclododeca-1,5-diene
CID 175990247
(5S)-5-methylcyclopentene-1-carbaldehyde
CID 101259456
2,6-dimethylcyclohex-2-ene-1-carboxylic acid
CID 45084784
(1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol
CID 58637363
(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene
CID 177034485
6-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 142069170
methyl (E)-3-[(3S,6S)-6-methyl-3-propan-2-ylcyclohexen-1-yl]prop-2-enoate
CID 102502360
methyl (E)-3-(4-tert-butylcyclohexen-1-yl)prop-2-enoate
CID 13449435
5-methylbicyclo[4.1.0]hept-1-ene
CID 123971358
(E,3Z)-1-cyclopropyl-3-[(2E,4E,6Z,8E)-1-hydroxy-8-methoxydeca-2,4,6,8-tetraenylidene]-7-(4-methoxyphenyl)hept-6-ene-1,5-dione
CID 139565648
tert-butyl 2-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 102390009

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene?
The IUPAC name of ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene (CID 143044684) is ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene.
What is the SMILES notation for ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene?
The canonical SMILES for ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene is C/C=C(\C=C/C1=CCCC(C)C1C)OC.CC.CC.
What is the InChIKey of ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene?
The InChIKey is QZOZHTXWZGSBTF-CDGNPMRUSA-N. The full InChI is InChI=1S/C14H22O.2C2H6/c1-5-14(15-4)10-9-13-8-6-7-11(2)12(13)3;2*1-2/h5,8-12H,6-7H2,1-4H3;2*1-2H3/b10-9-,14-5+;;.
What are the key properties of ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene?
ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene has a molecular weight of 266.47 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene is sourced from PubChem (CID 143044684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).