5-(3-methylbutyl)-1H-indene-2-carbaldehyde

C15H18O — CID 159967887

IUPAC5-(3-methylbutyl)-1H-indene-2-carbaldehyde
SMILESCC(C)CCc1ccc2c(c1)C=C(C=O)C2
InChIInChI=1S/C15H18O/c1-11(2)3-4-12-5-6-14-8-13(10-16)9-15(14)7-12/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyFJAJBQHDMRXWPX-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.41
Rot. Bonds4

About 5-(3-methylbutyl)-1H-indene-2-carbaldehyde

5-(3-methylbutyl)-1H-indene-2-carbaldehyde (PubChem CID 159967887) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-(3-methylbutyl)-1H-indene-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-methylbutyl)-1H-indene-2-carbaldehyde
PubChem CID159967887
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name5-(3-methylbutyl)-1H-indene-2-carbaldehyde
SMILESCC(C)CCc1ccc2c(c1)C=C(C=O)C2
InChIInChI=1S/C15H18O/c1-11(2)3-4-12-5-6-14-8-13(10-16)9-15(14)7-12/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyFJAJBQHDMRXWPX-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(3-methylbutyl)-1H-indene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1H-indene-2-carbaldehyde
CID 59074545
2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene
CID 153469807
5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium
CID 174563296
3,6-bis(5-methylhexyl)-9H-fluorene
CID 141425162
1,3-bis(3-methylbutyl)benzene;ethane
CID 159024866
3-[2-(aminomethyl)-5-(3-methylbutyl)phenyl]propanal
CID 174772015
4-(7-methyloctyl)benzaldehyde
CID 173431651
2-iodo-1-methyl-4-(3-methylbutyl)benzene
CID 58773799
5-(3-methylbutyl)-1-benzofuran-3-one
CID 158050839
2-methyl-5-(3-methylbutyl)-1H-indole
CID 135233610
3-(4-methylpentyl)benzaldehyde
CID 139685907
2-methyl-4-(3-methylbutyl)benzenesulfonic acid
CID 123716820

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-1H-indene-2-carbaldehyde?
The IUPAC name of 5-(3-methylbutyl)-1H-indene-2-carbaldehyde (CID 159967887) is 5-(3-methylbutyl)-1H-indene-2-carbaldehyde.
What is the SMILES notation for 5-(3-methylbutyl)-1H-indene-2-carbaldehyde?
The canonical SMILES for 5-(3-methylbutyl)-1H-indene-2-carbaldehyde is CC(C)CCc1ccc2c(c1)C=C(C=O)C2.
What is the InChIKey of 5-(3-methylbutyl)-1H-indene-2-carbaldehyde?
The InChIKey is FJAJBQHDMRXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-11(2)3-4-12-5-6-14-8-13(10-16)9-15(14)7-12/h5-7,9-11H,3-4,8H2,1-2H3.
What are the key properties of 5-(3-methylbutyl)-1H-indene-2-carbaldehyde?
5-(3-methylbutyl)-1H-indene-2-carbaldehyde has a molecular weight of 214.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-1H-indene-2-carbaldehyde is sourced from PubChem (CID 159967887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).