(1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene

C10H14O — CID 20670302

IUPAC(1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene
SMILESCOC1C/C=C\C=C/C=C\C1
InChIInChI=1S/C10H14O/c1-11-10-8-6-4-2-3-5-7-9-10/h2-7,10H,8-9H2,1H3/b3-2-,6-4-,7-5-
InChIKeyVWJTZGKQRXBCDX-YOKUOFPWSA-N
MW150.22 g/mol
LogP2.46
Rot. Bonds1

About (1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene

(1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene (PubChem CID 20670302) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene
PubChem CID20670302
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene
SMILESCOC1C/C=C\C=C/C=C\C1
InChIInChI=1S/C10H14O/c1-11-10-8-6-4-2-3-5-7-9-10/h2-7,10H,8-9H2,1H3/b3-2-,6-4-,7-5-
InChIKeyVWJTZGKQRXBCDX-YOKUOFPWSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene?
The IUPAC name of (1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene (CID 20670302) is (1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene.
What is the SMILES notation for (1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene?
The canonical SMILES for (1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene is COC1C/C=C\C=C/C=C\C1.
What is the InChIKey of (1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene?
The InChIKey is VWJTZGKQRXBCDX-YOKUOFPWSA-N. The full InChI is InChI=1S/C10H14O/c1-11-10-8-6-4-2-3-5-7-9-10/h2-7,10H,8-9H2,1H3/b3-2-,6-4-,7-5-.
What are the key properties of (1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene?
(1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene has a molecular weight of 150.22 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-8-methoxycyclonona-1,3,5-triene is sourced from PubChem (CID 20670302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).