1,2-dimethylcycloundecane-1-carbaldehyde

C14H26O — CID 138734446

IUPAC1,2-dimethylcycloundecane-1-carbaldehyde
SMILESCC1CCCCCCCCCC1(C)C=O
InChIInChI=1S/C14H26O/c1-13-10-8-6-4-3-5-7-9-11-14(13,2)12-15/h12-13H,3-11H2,1-2H3
InChIKeyMORKNHNICMCSQU-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.35
Rot. Bonds1

About 1,2-dimethylcycloundecane-1-carbaldehyde

1,2-dimethylcycloundecane-1-carbaldehyde (PubChem CID 138734446) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1,2-dimethylcycloundecane-1-carbaldehyde.

Molecular Properties

Compound Name1,2-dimethylcycloundecane-1-carbaldehyde
PubChem CID138734446
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1,2-dimethylcycloundecane-1-carbaldehyde
SMILESCC1CCCCCCCCCC1(C)C=O
InChIInChI=1S/C14H26O/c1-13-10-8-6-4-3-5-7-9-11-14(13,2)12-15/h12-13H,3-11H2,1-2H3
InChIKeyMORKNHNICMCSQU-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcycloundecane-1-carbaldehyde?
The IUPAC name of 1,2-dimethylcycloundecane-1-carbaldehyde (CID 138734446) is 1,2-dimethylcycloundecane-1-carbaldehyde.
What is the SMILES notation for 1,2-dimethylcycloundecane-1-carbaldehyde?
The canonical SMILES for 1,2-dimethylcycloundecane-1-carbaldehyde is CC1CCCCCCCCCC1(C)C=O.
What is the InChIKey of 1,2-dimethylcycloundecane-1-carbaldehyde?
The InChIKey is MORKNHNICMCSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-13-10-8-6-4-3-5-7-9-11-14(13,2)12-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 1,2-dimethylcycloundecane-1-carbaldehyde?
1,2-dimethylcycloundecane-1-carbaldehyde has a molecular weight of 210.36 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcycloundecane-1-carbaldehyde is sourced from PubChem (CID 138734446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).