acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane

C23H34O — CID 156799776

IUPACacetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane
SMILESC=Cc1cc2c(c(C)c1/C=C(\C)C1CC1)CC(C)C2.CC.CC=O
InChIInChI=1S/C19H24.C2H4O.C2H6/c1-5-15-11-17-8-12(2)9-18(17)14(4)19(15)10-13(3)16-6-7-16;1-2-3;1-2/h5,10-12,16H,1,6-9H2,2-4H3;2H,1H3;1-2H3/b13-10+;;
InChIKeyZPDGJTIIIQTDRC-JFXLULTRSA-N
MW326.52 g/mol
LogP6.42
Rot. Bonds3

About acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane

acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane (PubChem CID 156799776) has the molecular formula C23H34O and a molecular weight of 326.52 g/mol. Its IUPAC name is acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane.

Molecular Properties

Compound Nameacetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane
PubChem CID156799776
Molecular FormulaC23H34O
Molecular Weight326.52 g/mol
Exact Mass326.26
IUPAC Nameacetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane
SMILESC=Cc1cc2c(c(C)c1/C=C(\C)C1CC1)CC(C)C2.CC.CC=O
InChIInChI=1S/C19H24.C2H4O.C2H6/c1-5-15-11-17-8-12(2)9-18(17)14(4)19(15)10-13(3)16-6-7-16;1-2-3;1-2/h5,10-12,16H,1,6-9H2,2-4H3;2H,1H3;1-2H3/b13-10+;;
InChIKeyZPDGJTIIIQTDRC-JFXLULTRSA-N
XLogP6.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.42
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 acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane?
The IUPAC name of acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane (CID 156799776) is acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane.
What is the SMILES notation for acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane?
The canonical SMILES for acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane is C=Cc1cc2c(c(C)c1/C=C(\C)C1CC1)CC(C)C2.CC.CC=O.
What is the InChIKey of acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane?
The InChIKey is ZPDGJTIIIQTDRC-JFXLULTRSA-N. The full InChI is InChI=1S/C19H24.C2H4O.C2H6/c1-5-15-11-17-8-12(2)9-18(17)14(4)19(15)10-13(3)16-6-7-16;1-2-3;1-2/h5,10-12,16H,1,6-9H2,2-4H3;2H,1H3;1-2H3/b13-10+;;.
What are the key properties of acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane?
acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane has a molecular weight of 326.52 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane is sourced from PubChem (CID 156799776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).