3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde

C18H28O2 — CID 154516028

IUPAC3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde
SMILESCCC1=CC2=C(C(OC)C1C=O)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H28O2/c1-7-12-10-14-15(16(20-6)13(12)11-19)18(4,5)9-8-17(14,2)3/h10-11,13,16H,7-9H2,1-6H3
InChIKeyVJDTZDSTHSDRDJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.31
Rot. Bonds3

About 3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde

3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde (PubChem CID 154516028) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde
PubChem CID154516028
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde
SMILESCCC1=CC2=C(C(OC)C1C=O)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H28O2/c1-7-12-10-14-15(16(20-6)13(12)11-19)18(4,5)9-8-17(14,2)3/h10-11,13,16H,7-9H2,1-6H3
InChIKeyVJDTZDSTHSDRDJ-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde?
The IUPAC name of 3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde (CID 154516028) is 3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde?
The canonical SMILES for 3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde is CCC1=CC2=C(C(OC)C1C=O)C(C)(C)CCC2(C)C.
What is the InChIKey of 3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde?
The InChIKey is VJDTZDSTHSDRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-7-12-10-14-15(16(20-6)13(12)11-19)18(4,5)9-8-17(14,2)3/h10-11,13,16H,7-9H2,1-6H3.
What are the key properties of 3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde?
3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde has a molecular weight of 276.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxy-5,5,8,8-tetramethyl-1,2,6,7-tetrahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 154516028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).