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

C13H16O — CID 101391660

IUPAC(2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde
SMILESCC(C)c1ccc2c(c1)C[C@@H](C=O)C2
InChIInChI=1S/C13H16O/c1-9(2)11-3-4-12-5-10(8-14)6-13(12)7-11/h3-4,7-10H,5-6H2,1-2H3/t10-/m0/s1
InChIKeyHXYCTCCDIDFPHN-JTQLQIEISA-N
MW188.27 g/mol
LogP2.72
Rot. Bonds2

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

(2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde (PubChem CID 101391660) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde
PubChem CID101391660
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde
SMILESCC(C)c1ccc2c(c1)C[C@@H](C=O)C2
InChIInChI=1S/C13H16O/c1-9(2)11-3-4-12-5-10(8-14)6-13(12)7-11/h3-4,7-10H,5-6H2,1-2H3/t10-/m0/s1
InChIKeyHXYCTCCDIDFPHN-JTQLQIEISA-N
XLogP2.72
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 ≤ 52.72
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 (2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde?
The IUPAC name of (2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde (CID 101391660) is (2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde.
What is the SMILES notation for (2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde?
The canonical SMILES for (2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde is CC(C)c1ccc2c(c1)C[C@@H](C=O)C2.
What is the InChIKey of (2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde?
The InChIKey is HXYCTCCDIDFPHN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16O/c1-9(2)11-3-4-12-5-10(8-14)6-13(12)7-11/h3-4,7-10H,5-6H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde?
(2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde has a molecular weight of 188.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-propan-2-yl-2,3-dihydro-1H-indene-2-carbaldehyde is sourced from PubChem (CID 101391660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).