(1Z,3Z)-2-methylcycloocta-1,3-diene

C9H14 — CID 15577590

IUPAC(1Z,3Z)-2-methylcycloocta-1,3-diene
SMILESCC1=C/CCCC/C=C\1
InChIInChI=1S/C9H14/c1-9-7-5-3-2-4-6-8-9/h5,7-8H,2-4,6H2,1H3/b7-5-,9-8-
InChIKeyYGIWJCAWGXYEOP-PJHABFGRSA-N
MW122.21 g/mol
LogP3.06
Rot. Bonds

About (1Z,3Z)-2-methylcycloocta-1,3-diene

(1Z,3Z)-2-methylcycloocta-1,3-diene (PubChem CID 15577590) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (1Z,3Z)-2-methylcycloocta-1,3-diene.

Molecular Properties

Compound Name(1Z,3Z)-2-methylcycloocta-1,3-diene
PubChem CID15577590
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(1Z,3Z)-2-methylcycloocta-1,3-diene
SMILESCC1=C/CCCC/C=C\1
InChIInChI=1S/C9H14/c1-9-7-5-3-2-4-6-8-9/h5,7-8H,2-4,6H2,1H3/b7-5-,9-8-
InChIKeyYGIWJCAWGXYEOP-PJHABFGRSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2-methylcycloocta-1,3-diene?
The IUPAC name of (1Z,3Z)-2-methylcycloocta-1,3-diene (CID 15577590) is (1Z,3Z)-2-methylcycloocta-1,3-diene.
What is the SMILES notation for (1Z,3Z)-2-methylcycloocta-1,3-diene?
The canonical SMILES for (1Z,3Z)-2-methylcycloocta-1,3-diene is CC1=C/CCCC/C=C\1.
What is the InChIKey of (1Z,3Z)-2-methylcycloocta-1,3-diene?
The InChIKey is YGIWJCAWGXYEOP-PJHABFGRSA-N. The full InChI is InChI=1S/C9H14/c1-9-7-5-3-2-4-6-8-9/h5,7-8H,2-4,6H2,1H3/b7-5-,9-8-.
What are the key properties of (1Z,3Z)-2-methylcycloocta-1,3-diene?
(1Z,3Z)-2-methylcycloocta-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-methylcycloocta-1,3-diene is sourced from PubChem (CID 15577590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).