4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde

C16H22O — CID 155278902

IUPAC4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde
SMILESCCC/C=C(\c1cc(C=O)ccc1C)C(C)C
InChIInChI=1S/C16H22O/c1-5-6-7-15(12(2)3)16-10-14(11-17)9-8-13(16)4/h7-12H,5-6H2,1-4H3/b15-7-
InChIKeyXGBUVEPTPSDMFR-CHHVJCJISA-N
MW230.35 g/mol
LogP4.65
Rot. Bonds5

About 4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde

4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde (PubChem CID 155278902) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde.

Molecular Properties

Compound Name4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde
PubChem CID155278902
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde
SMILESCCC/C=C(\c1cc(C=O)ccc1C)C(C)C
InChIInChI=1S/C16H22O/c1-5-6-7-15(12(2)3)16-10-14(11-17)9-8-13(16)4/h7-12H,5-6H2,1-4H3/b15-7-
InChIKeyXGBUVEPTPSDMFR-CHHVJCJISA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.65
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

4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde
CID 62121260
4-(bromomethyl)-3-methylbenzaldehyde
CID 134217544
4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde
CID 145192395
4-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzaldehyde
CID 104552443
3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde
CID 123355717
3-butoxy-4-methylbenzaldehyde
CID 91636264
4-hydroxy-3-propylbenzaldehyde
CID 57447725
4-amino-3-methylbenzaldehyde;butane;ethane
CID 143664770
4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde
CID 145192403
3-methyl-4-octan-2-yloxybenzaldehyde
CID 79117369
2-(2-ethyl-4-formyl-6-methylphenyl)propanoic acid
CID 141152132
3-(3-chloro-1,2-dihydroxypropyl)-4-methylbenzaldehyde
CID 171861977

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde?
The IUPAC name of 4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde (CID 155278902) is 4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde.
What is the SMILES notation for 4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde?
The canonical SMILES for 4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde is CCC/C=C(\c1cc(C=O)ccc1C)C(C)C.
What is the InChIKey of 4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde?
The InChIKey is XGBUVEPTPSDMFR-CHHVJCJISA-N. The full InChI is InChI=1S/C16H22O/c1-5-6-7-15(12(2)3)16-10-14(11-17)9-8-13(16)4/h7-12H,5-6H2,1-4H3/b15-7-.
What are the key properties of 4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde?
4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde has a molecular weight of 230.35 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde is sourced from PubChem (CID 155278902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).