5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

C15H20O — CID 162949018

IUPAC5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
SMILESCC1CCC(C(C)C)c2cc(C=O)ccc21
InChIInChI=1S/C15H20O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h5,7-11,13H,4,6H2,1-3H3
InChIKeyUCACDBOTALIOFA-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.14
Rot. Bonds2

About 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde (PubChem CID 162949018) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
PubChem CID162949018
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
SMILESCC1CCC(C(C)C)c2cc(C=O)ccc21
InChIInChI=1S/C15H20O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h5,7-11,13H,4,6H2,1-3H3
InChIKeyUCACDBOTALIOFA-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.14
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 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The IUPAC name of 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde (CID 162949018) is 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The canonical SMILES for 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde is CC1CCC(C(C)C)c2cc(C=O)ccc21.
What is the InChIKey of 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The InChIKey is UCACDBOTALIOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h5,7-11,13H,4,6H2,1-3H3.
What are the key properties of 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde has a molecular weight of 216.32 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 162949018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).