(1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde

C14H18O — CID 102391535

IUPAC(1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde
SMILESCC(C)(C)[C@]1(C=O)CCc2ccccc21
InChIInChI=1S/C14H18O/c1-13(2,3)14(10-15)9-8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3/t14-/m0/s1
InChIKeyBSOKUCCSXGAELL-AWEZNQCLSA-N
MW202.30 g/mol
LogP3.12
Rot. Bonds1

About (1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde

(1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde (PubChem CID 102391535) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde.

Molecular Properties

Compound Name(1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde
PubChem CID102391535
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde
SMILESCC(C)(C)[C@]1(C=O)CCc2ccccc21
InChIInChI=1S/C14H18O/c1-13(2,3)14(10-15)9-8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3/t14-/m0/s1
InChIKeyBSOKUCCSXGAELL-AWEZNQCLSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde
CID 130640609
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
(1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde
CID 14963826
1-methyl-2,3-dihydroisoindole-1-carbaldehyde
CID 174709003
1-propan-2-yl-3,4-dihydroisochromene-1-carbaldehyde
CID 12781280
2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde
CID 174848722
3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene
CID 91599532
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
ethane;methanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339109
2-tert-butyl-3H-1-benzofuran-2-carbaldehyde
CID 117046047
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 79428309

Frequently Asked Questions

What is the IUPAC name of (1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde?
The IUPAC name of (1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde (CID 102391535) is (1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde.
What is the SMILES notation for (1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde?
The canonical SMILES for (1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde is CC(C)(C)[C@]1(C=O)CCc2ccccc21.
What is the InChIKey of (1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde?
The InChIKey is BSOKUCCSXGAELL-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18O/c1-13(2,3)14(10-15)9-8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3/t14-/m0/s1.
What are the key properties of (1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde?
(1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde has a molecular weight of 202.30 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde is sourced from PubChem (CID 102391535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).