2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene

C16H24O — CID 146614259

IUPAC2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene
SMILESCC/C=C(\C=C/COCC1=CCCC=C1)CC
InChIInChI=1S/C16H24O/c1-3-9-15(4-2)12-8-13-17-14-16-10-6-5-7-11-16/h6,8-12H,3-5,7,13-14H2,1-2H3/b12-8-,15-9-
InChIKeyCCJSGZHNAJKMIZ-FFYBSVHWSA-N
MW232.37 g/mol
LogP4.58
Rot. Bonds7

About 2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene

2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene (PubChem CID 146614259) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene
PubChem CID146614259
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene
SMILESCC/C=C(\C=C/COCC1=CCCC=C1)CC
InChIInChI=1S/C16H24O/c1-3-9-15(4-2)12-8-13-17-14-16-10-6-5-7-11-16/h6,8-12H,3-5,7,13-14H2,1-2H3/b12-8-,15-9-
InChIKeyCCJSGZHNAJKMIZ-FFYBSVHWSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene?
The IUPAC name of 2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene (CID 146614259) is 2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene is CC/C=C(\C=C/COCC1=CCCC=C1)CC.
What is the InChIKey of 2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene?
The InChIKey is CCJSGZHNAJKMIZ-FFYBSVHWSA-N. The full InChI is InChI=1S/C16H24O/c1-3-9-15(4-2)12-8-13-17-14-16-10-6-5-7-11-16/h6,8-12H,3-5,7,13-14H2,1-2H3/b12-8-,15-9-.
What are the key properties of 2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene?
2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene has a molecular weight of 232.37 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene is sourced from PubChem (CID 146614259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).