7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene

C15H22O — CID 18598568

IUPAC7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene
SMILESCOCCC/C=C\C(C)C1C=CC=CC=C1
InChIInChI=1S/C15H22O/c1-14(10-6-5-9-13-16-2)15-11-7-3-4-8-12-15/h3-4,6-8,10-12,14-15H,5,9,13H2,1-2H3/b10-6-
InChIKeyGUXZXQOUESELLB-POHAHGRESA-N
MW218.34 g/mol
LogP3.90
Rot. Bonds6

About 7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene

7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene (PubChem CID 18598568) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene
PubChem CID18598568
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene
SMILESCOCCC/C=C\C(C)C1C=CC=CC=C1
InChIInChI=1S/C15H22O/c1-14(10-6-5-9-13-16-2)15-11-7-3-4-8-12-15/h3-4,6-8,10-12,14-15H,5,9,13H2,1-2H3/b10-6-
InChIKeyGUXZXQOUESELLB-POHAHGRESA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene?
The IUPAC name of 7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene (CID 18598568) is 7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene.
What is the SMILES notation for 7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene?
The canonical SMILES for 7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene is COCCC/C=C\C(C)C1C=CC=CC=C1.
What is the InChIKey of 7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene?
The InChIKey is GUXZXQOUESELLB-POHAHGRESA-N. The full InChI is InChI=1S/C15H22O/c1-14(10-6-5-9-13-16-2)15-11-7-3-4-8-12-15/h3-4,6-8,10-12,14-15H,5,9,13H2,1-2H3/b10-6-.
What are the key properties of 7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene?
7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene has a molecular weight of 218.34 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-7-methoxyhept-3-en-2-yl]cyclohepta-1,3,5-triene is sourced from PubChem (CID 18598568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).