(1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene

C12H18 — CID 5352577

IUPAC(1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene
SMILESCC1/C=C\C/C=C\CC/C=C\C1
InChIInChI=1S/C12H18/c1-12-10-8-6-4-2-3-5-7-9-11-12/h2,4,7-10,12H,3,5-6,11H2,1H3/b4-2-,9-7-,10-8-
InChIKeyNONATMBHGBQNTN-DQZHVKFHSA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds

About (1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene

(1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene (PubChem CID 5352577) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene.

Molecular Properties

Compound Name(1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene
PubChem CID5352577
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene
SMILESCC1/C=C\C/C=C\CC/C=C\C1
InChIInChI=1S/C12H18/c1-12-10-8-6-4-2-3-5-7-9-11-12/h2,4,7-10,12H,3,5-6,11H2,1H3/b4-2-,9-7-,10-8-
InChIKeyNONATMBHGBQNTN-DQZHVKFHSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene?
The IUPAC name of (1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene (CID 5352577) is (1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene.
What is the SMILES notation for (1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene?
The canonical SMILES for (1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene is CC1/C=C\C/C=C\CC/C=C\C1.
What is the InChIKey of (1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene?
The InChIKey is NONATMBHGBQNTN-DQZHVKFHSA-N. The full InChI is InChI=1S/C12H18/c1-12-10-8-6-4-2-3-5-7-9-11-12/h2,4,7-10,12H,3,5-6,11H2,1H3/b4-2-,9-7-,10-8-.
What are the key properties of (1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene?
(1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene has a molecular weight of 162.28 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene is sourced from PubChem (CID 5352577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).