3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde

C17H24O2 — CID 19095183

IUPAC3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde
SMILESCCc1cc2c(c(O)c1C=O)C(C)(C)CCC2(C)C
InChIInChI=1S/C17H24O2/c1-6-11-9-13-14(15(19)12(11)10-18)17(4,5)8-7-16(13,2)3/h9-10,19H,6-8H2,1-5H3
InChIKeyRFQMOUZUNUTNTD-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.12
Rot. Bonds2

About 3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde

3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde (PubChem CID 19095183) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde
PubChem CID19095183
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde
SMILESCCc1cc2c(c(O)c1C=O)C(C)(C)CCC2(C)C
InChIInChI=1S/C17H24O2/c1-6-11-9-13-14(15(19)12(11)10-18)17(4,5)8-7-16(13,2)3/h9-10,19H,6-8H2,1-5H3
InChIKeyRFQMOUZUNUTNTD-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
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-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde (CID 19095183) is 3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde is CCc1cc2c(c(O)c1C=O)C(C)(C)CCC2(C)C.
What is the InChIKey of 3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde?
The InChIKey is RFQMOUZUNUTNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-6-11-9-13-14(15(19)12(11)10-18)17(4,5)8-7-16(13,2)3/h9-10,19H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde?
3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde has a molecular weight of 260.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 19095183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).