3-ethyl-5,7-dimethyladamantane-1-carbaldehyde

C15H24O — CID 57272304

IUPAC3-ethyl-5,7-dimethyladamantane-1-carbaldehyde
SMILESCCC12CC3(C)CC(C)(CC(C=O)(C3)C1)C2
InChIInChI=1S/C15H24O/c1-4-14-6-12(2)5-13(3,7-14)9-15(8-12,10-14)11-16/h11H,4-10H2,1-3H3
InChIKeyVGJZGWGPFKXEDP-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.96
Rot. Bonds2

About 3-ethyl-5,7-dimethyladamantane-1-carbaldehyde

3-ethyl-5,7-dimethyladamantane-1-carbaldehyde (PubChem CID 57272304) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-ethyl-5,7-dimethyladamantane-1-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-5,7-dimethyladamantane-1-carbaldehyde
PubChem CID57272304
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3-ethyl-5,7-dimethyladamantane-1-carbaldehyde
SMILESCCC12CC3(C)CC(C)(CC(C=O)(C3)C1)C2
InChIInChI=1S/C15H24O/c1-4-14-6-12(2)5-13(3,7-14)9-15(8-12,10-14)11-16/h11H,4-10H2,1-3H3
InChIKeyVGJZGWGPFKXEDP-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.96
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 3-ethyl-5,7-dimethyladamantane-1-carbaldehyde?
The IUPAC name of 3-ethyl-5,7-dimethyladamantane-1-carbaldehyde (CID 57272304) is 3-ethyl-5,7-dimethyladamantane-1-carbaldehyde.
What is the SMILES notation for 3-ethyl-5,7-dimethyladamantane-1-carbaldehyde?
The canonical SMILES for 3-ethyl-5,7-dimethyladamantane-1-carbaldehyde is CCC12CC3(C)CC(C)(CC(C=O)(C3)C1)C2.
What is the InChIKey of 3-ethyl-5,7-dimethyladamantane-1-carbaldehyde?
The InChIKey is VGJZGWGPFKXEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-14-6-12(2)5-13(3,7-14)9-15(8-12,10-14)11-16/h11H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-5,7-dimethyladamantane-1-carbaldehyde?
3-ethyl-5,7-dimethyladamantane-1-carbaldehyde has a molecular weight of 220.36 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,7-dimethyladamantane-1-carbaldehyde is sourced from PubChem (CID 57272304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).