benzaldehyde;3,7-dimethyloct-6-enal

C17H24O2 — CID 87489443

IUPACbenzaldehyde;3,7-dimethyloct-6-enal
SMILESCC(C)=CCCC(C)CC=O.O=Cc1ccccc1
InChIInChI=1S/C10H18O.C7H6O/c1-9(2)5-4-6-10(3)7-8-11;8-6-7-4-2-1-3-5-7/h5,8,10H,4,6-7H2,1-3H3;1-6H
InChIKeyIALNSZFEJLJBBM-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.46
Rot. Bonds6

About benzaldehyde;3,7-dimethyloct-6-enal

benzaldehyde;3,7-dimethyloct-6-enal (PubChem CID 87489443) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is benzaldehyde;3,7-dimethyloct-6-enal.

Molecular Properties

Compound Namebenzaldehyde;3,7-dimethyloct-6-enal
PubChem CID87489443
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Namebenzaldehyde;3,7-dimethyloct-6-enal
SMILESCC(C)=CCCC(C)CC=O.O=Cc1ccccc1
InChIInChI=1S/C10H18O.C7H6O/c1-9(2)5-4-6-10(3)7-8-11;8-6-7-4-2-1-3-5-7/h5,8,10H,4,6-7H2,1-3H3;1-6H
InChIKeyIALNSZFEJLJBBM-UHFFFAOYSA-N
XLogP4.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene
CID 175723807
2-amino-3-methylbenzoic acid;3,7-dimethyloct-6-enal
CID 135304015
4-[(2S)-6-methylhept-5-en-2-yl]benzaldehyde
CID 102063199
3,7-dimethyloct-6-enal;3,7-dimethyloct-6-enenitrile
CID 174893210
[(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium
CID 102504264
[(3S)-3,7-dimethyloct-6-enyl] (E)-3-phenylprop-2-enoate
CID 86310523
[(3S)-3,7-dimethyloct-6-enyl] (Z)-3-phenylprop-2-enoate
CID 97304810
aniline;3,7-dimethyloct-6-enyl formate
CID 174848880
phenyl 3,7-dimethyloct-6-enoate
CID 142994428
[(1R)-2-[(2S)-2,6-dimethylhept-5-enyl]cyclopropyl]sulfonylbenzene
CID 158195735
1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2845763
3,7-dimethyloct-6-enoxymethylbenzene
CID 11299598

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;3,7-dimethyloct-6-enal?
The IUPAC name of benzaldehyde;3,7-dimethyloct-6-enal (CID 87489443) is benzaldehyde;3,7-dimethyloct-6-enal.
What is the SMILES notation for benzaldehyde;3,7-dimethyloct-6-enal?
The canonical SMILES for benzaldehyde;3,7-dimethyloct-6-enal is CC(C)=CCCC(C)CC=O.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;3,7-dimethyloct-6-enal?
The InChIKey is IALNSZFEJLJBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C7H6O/c1-9(2)5-4-6-10(3)7-8-11;8-6-7-4-2-1-3-5-7/h5,8,10H,4,6-7H2,1-3H3;1-6H.
What are the key properties of benzaldehyde;3,7-dimethyloct-6-enal?
benzaldehyde;3,7-dimethyloct-6-enal has a molecular weight of 260.38 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;3,7-dimethyloct-6-enal is sourced from PubChem (CID 87489443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).