10-methylundeca-3,7-diene

C12H22 — CID 91333064

IUPAC10-methylundeca-3,7-diene
SMILESCCC=CCCC=CCC(C)C
InChIInChI=1S/C12H22/c1-4-5-6-7-8-9-10-11-12(2)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3
InChIKeyPEUFXGJAGHUUKH-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds6

About 10-methylundeca-3,7-diene

10-methylundeca-3,7-diene (PubChem CID 91333064) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 10-methylundeca-3,7-diene.

Molecular Properties

Compound Name10-methylundeca-3,7-diene
PubChem CID91333064
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name10-methylundeca-3,7-diene
SMILESCCC=CCCC=CCC(C)C
InChIInChI=1S/C12H22/c1-4-5-6-7-8-9-10-11-12(2)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3
InChIKeyPEUFXGJAGHUUKH-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methylundeca-3,7-diene?
The IUPAC name of 10-methylundeca-3,7-diene (CID 91333064) is 10-methylundeca-3,7-diene.
What is the SMILES notation for 10-methylundeca-3,7-diene?
The canonical SMILES for 10-methylundeca-3,7-diene is CCC=CCCC=CCC(C)C.
What is the InChIKey of 10-methylundeca-3,7-diene?
The InChIKey is PEUFXGJAGHUUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-5-6-7-8-9-10-11-12(2)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3.
What are the key properties of 10-methylundeca-3,7-diene?
10-methylundeca-3,7-diene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundeca-3,7-diene is sourced from PubChem (CID 91333064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).