acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane

C18H26O — CID 168915570

IUPACacetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane
SMILESCC=O.CCC.Cc1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C13H14.C3H8.C2H4O/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-2;1-2-3/h3,5-10H,2,4H2,1H3;3H2,1-2H3;2H,1H3
InChIKeyORUGXFBUSFNBMQ-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.35
Rot. Bonds1

About acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane

acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane (PubChem CID 168915570) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane.

Molecular Properties

Compound Nameacetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane
PubChem CID168915570
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Nameacetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane
SMILESCC=O.CCC.Cc1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C13H14.C3H8.C2H4O/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-2;1-2-3/h3,5-10H,2,4H2,1H3;3H2,1-2H3;2H,1H3
InChIKeyORUGXFBUSFNBMQ-UHFFFAOYSA-N
XLogP5.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.35
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

N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
1-cyclohexa-1,5-dien-1-yl-4-(iodomethyl)benzene
CID 70308724
1-cyclohexa-1,5-dien-1-yl-4-heptylbenzene
CID 145496563
acetaldehyde;2-methylcyclohexa-1,3-diene
CID 144635088
1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane
CID 142540149
1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
CID 144527503
2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine
CID 144691952
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
CID 174113391
CID 174113391
N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide
CID 129312965
1-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-sulfanylethanone
CID 145041616

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane?
The IUPAC name of acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane (CID 168915570) is acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane.
What is the SMILES notation for acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane?
The canonical SMILES for acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane is CC=O.CCC.Cc1ccc(C2=CCCC=C2)cc1.
What is the InChIKey of acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane?
The InChIKey is ORUGXFBUSFNBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C3H8.C2H4O/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-2;1-2-3/h3,5-10H,2,4H2,1H3;3H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane?
acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane has a molecular weight of 258.40 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane is sourced from PubChem (CID 168915570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).