(1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene

C9H12 — CID 15464181

IUPAC(1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene
SMILESCC1=C/CC/C=C/C=C\1
InChIInChI=1S/C9H12/c1-9-7-5-3-2-4-6-8-9/h2-3,5,7-8H,4,6H2,1H3/b3-2-,7-5-,9-8-
InChIKeyXEOYODRLHYQHFO-WLQVXGCWSA-N
MW120.19 g/mol
LogP2.84
Rot. Bonds

About (1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene

(1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene (PubChem CID 15464181) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene
PubChem CID15464181
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene
SMILESCC1=C/CC/C=C/C=C\1
InChIInChI=1S/C9H12/c1-9-7-5-3-2-4-6-8-9/h2-3,5,7-8H,4,6H2,1H3/b3-2-,7-5-,9-8-
InChIKeyXEOYODRLHYQHFO-WLQVXGCWSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene?
The IUPAC name of (1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene (CID 15464181) is (1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene.
What is the SMILES notation for (1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene?
The canonical SMILES for (1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene is CC1=C/CC/C=C/C=C\1.
What is the InChIKey of (1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene?
The InChIKey is XEOYODRLHYQHFO-WLQVXGCWSA-N. The full InChI is InChI=1S/C9H12/c1-9-7-5-3-2-4-6-8-9/h2-3,5,7-8H,4,6H2,1H3/b3-2-,7-5-,9-8-.
What are the key properties of (1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene?
(1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene has a molecular weight of 120.19 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-2-methylcycloocta-1,3,5-triene is sourced from PubChem (CID 15464181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).