10,11-dimethyl-6-methylidenedodec-11-enal

C15H26O — CID 91275888

IUPAC10,11-dimethyl-6-methylidenedodec-11-enal
SMILESC=C(CCCCC=O)CCCC(C)C(=C)C
InChIInChI=1S/C15H26O/c1-13(2)15(4)11-8-10-14(3)9-6-5-7-12-16/h12,15H,1,3,5-11H2,2,4H3
InChIKeyZBJACOLLIJEVHP-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.68
Rot. Bonds10

About 10,11-dimethyl-6-methylidenedodec-11-enal

10,11-dimethyl-6-methylidenedodec-11-enal (PubChem CID 91275888) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 10,11-dimethyl-6-methylidenedodec-11-enal.

Molecular Properties

Compound Name10,11-dimethyl-6-methylidenedodec-11-enal
PubChem CID91275888
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name10,11-dimethyl-6-methylidenedodec-11-enal
SMILESC=C(CCCCC=O)CCCC(C)C(=C)C
InChIInChI=1S/C15H26O/c1-13(2)15(4)11-8-10-14(3)9-6-5-7-12-16/h12,15H,1,3,5-11H2,2,4H3
InChIKeyZBJACOLLIJEVHP-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 10,11-dimethyl-6-methylidenedodec-11-enal?
The IUPAC name of 10,11-dimethyl-6-methylidenedodec-11-enal (CID 91275888) is 10,11-dimethyl-6-methylidenedodec-11-enal.
What is the SMILES notation for 10,11-dimethyl-6-methylidenedodec-11-enal?
The canonical SMILES for 10,11-dimethyl-6-methylidenedodec-11-enal is C=C(CCCCC=O)CCCC(C)C(=C)C.
What is the InChIKey of 10,11-dimethyl-6-methylidenedodec-11-enal?
The InChIKey is ZBJACOLLIJEVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2)15(4)11-8-10-14(3)9-6-5-7-12-16/h12,15H,1,3,5-11H2,2,4H3.
What are the key properties of 10,11-dimethyl-6-methylidenedodec-11-enal?
10,11-dimethyl-6-methylidenedodec-11-enal has a molecular weight of 222.37 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dimethyl-6-methylidenedodec-11-enal is sourced from PubChem (CID 91275888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).