3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde

C13H16O — CID 167441479

IUPAC3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde
SMILESCC(C)C1CCc2ccc(C=O)cc21
InChIInChI=1S/C13H16O/c1-9(2)12-6-5-11-4-3-10(8-14)7-13(11)12/h3-4,7-9,12H,5-6H2,1-2H3
InChIKeyLAWDNLVHVCXEJC-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.18
Rot. Bonds2

About 3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde

3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde (PubChem CID 167441479) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde.

Molecular Properties

Compound Name3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde
PubChem CID167441479
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde
SMILESCC(C)C1CCc2ccc(C=O)cc21
InChIInChI=1S/C13H16O/c1-9(2)12-6-5-11-4-3-10(8-14)7-13(11)12/h3-4,7-9,12H,5-6H2,1-2H3
InChIKeyLAWDNLVHVCXEJC-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.18
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-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde?
The IUPAC name of 3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde (CID 167441479) is 3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde.
What is the SMILES notation for 3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde?
The canonical SMILES for 3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde is CC(C)C1CCc2ccc(C=O)cc21.
What is the InChIKey of 3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde?
The InChIKey is LAWDNLVHVCXEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9(2)12-6-5-11-4-3-10(8-14)7-13(11)12/h3-4,7-9,12H,5-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde?
3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde has a molecular weight of 188.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde is sourced from PubChem (CID 167441479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).