8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde

C23H24O — CID 143416656

IUPAC8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCC1=CC=C(C/C=C\C2=C(C=O)CCc3cccc(C)c32)CC=C1
InChIInChI=1S/C23H24O/c1-17-6-3-8-19(13-12-17)9-5-11-22-21(16-24)15-14-20-10-4-7-18(2)23(20)22/h3-7,10-13,16H,8-9,14-15H2,1-2H3/b11-5-
InChIKeyTXYGICFOYDQSFW-WZUFQYTHSA-N
MW316.44 g/mol
LogP5.67
Rot. Bonds4

About 8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde

8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 143416656) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde
PubChem CID143416656
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCC1=CC=C(C/C=C\C2=C(C=O)CCc3cccc(C)c32)CC=C1
InChIInChI=1S/C23H24O/c1-17-6-3-8-19(13-12-17)9-5-11-22-21(16-24)15-14-20-10-4-7-18(2)23(20)22/h3-7,10-13,16H,8-9,14-15H2,1-2H3/b11-5-
InChIKeyTXYGICFOYDQSFW-WZUFQYTHSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.67
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 8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde (CID 143416656) is 8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde is CC1=CC=C(C/C=C\C2=C(C=O)CCc3cccc(C)c32)CC=C1.
What is the InChIKey of 8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is TXYGICFOYDQSFW-WZUFQYTHSA-N. The full InChI is InChI=1S/C23H24O/c1-17-6-3-8-19(13-12-17)9-5-11-22-21(16-24)15-14-20-10-4-7-18(2)23(20)22/h3-7,10-13,16H,8-9,14-15H2,1-2H3/b11-5-.
What are the key properties of 8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde?
8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 316.44 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 143416656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).