(1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene

C10H16O — CID 66889881

IUPAC(1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene
SMILESCOC/C1=C/C=C\CCCC1
InChIInChI=1S/C10H16O/c1-11-9-10-7-5-3-2-4-6-8-10/h3,5,7H,2,4,6,8-9H2,1H3/b5-3-,10-7+
InChIKeyMAOUDLFPXVSSBK-ZMSZASLQSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds2

About (1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene

(1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene (PubChem CID 66889881) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene
PubChem CID66889881
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene
SMILESCOC/C1=C/C=C\CCCC1
InChIInChI=1S/C10H16O/c1-11-9-10-7-5-3-2-4-6-8-10/h3,5,7H,2,4,6,8-9H2,1H3/b5-3-,10-7+
InChIKeyMAOUDLFPXVSSBK-ZMSZASLQSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene?
The IUPAC name of (1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene (CID 66889881) is (1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene.
What is the SMILES notation for (1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene?
The canonical SMILES for (1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene is COC/C1=C/C=C\CCCC1.
What is the InChIKey of (1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene?
The InChIKey is MAOUDLFPXVSSBK-ZMSZASLQSA-N. The full InChI is InChI=1S/C10H16O/c1-11-9-10-7-5-3-2-4-6-8-10/h3,5,7H,2,4,6,8-9H2,1H3/b5-3-,10-7+.
What are the key properties of (1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene?
(1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene is sourced from PubChem (CID 66889881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).