(1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene

C10H14O — CID 66890141

IUPAC(1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene
SMILESCOC/C1=C/C=C\C=C/CC1
InChIInChI=1S/C10H14O/c1-11-9-10-7-5-3-2-4-6-8-10/h2-5,7H,6,8-9H2,1H3/b4-2-,5-3-,10-7+
InChIKeyCSNGMSIFHBGTHU-XVPLCRCASA-N
MW150.22 g/mol
LogP2.47
Rot. Bonds2

About (1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene

(1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene (PubChem CID 66890141) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene
PubChem CID66890141
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene
SMILESCOC/C1=C/C=C\C=C/CC1
InChIInChI=1S/C10H14O/c1-11-9-10-7-5-3-2-4-6-8-10/h2-5,7H,6,8-9H2,1H3/b4-2-,5-3-,10-7+
InChIKeyCSNGMSIFHBGTHU-XVPLCRCASA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene (CID 66890141) is (1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene is COC/C1=C/C=C\C=C/CC1.
What is the InChIKey of (1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene?
The InChIKey is CSNGMSIFHBGTHU-XVPLCRCASA-N. The full InChI is InChI=1S/C10H14O/c1-11-9-10-7-5-3-2-4-6-8-10/h2-5,7H,6,8-9H2,1H3/b4-2-,5-3-,10-7+.
What are the key properties of (1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene?
(1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene has a molecular weight of 150.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-1-(methoxymethyl)cycloocta-1,3,5-triene is sourced from PubChem (CID 66890141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).