5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde

C18H26O2 — CID 54849781

IUPAC5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C(C)CC)cc(C=O)c1OC(C)CC
InChIInChI=1S/C18H26O2/c1-6-9-15-10-16(13(4)7-2)11-17(12-19)18(15)20-14(5)8-3/h6,10-14H,1,7-9H2,2-5H3
InChIKeyLWQOAGCLSGCQGQ-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.92
Rot. Bonds8

About 5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde

5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde (PubChem CID 54849781) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde.

Molecular Properties

Compound Name5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde
PubChem CID54849781
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C(C)CC)cc(C=O)c1OC(C)CC
InChIInChI=1S/C18H26O2/c1-6-9-15-10-16(13(4)7-2)11-17(12-19)18(15)20-14(5)8-3/h6,10-14H,1,7-9H2,2-5H3
InChIKeyLWQOAGCLSGCQGQ-UHFFFAOYSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.92
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

5-butan-2-yl-3-prop-2-enyl-2-propoxybenzaldehyde
CID 54850185
5-butan-2-yl-2-(2-ethoxyethoxy)-3-prop-2-enylbenzaldehyde
CID 54850243
5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde
CID 22082143
(2,6-dibromo-4-butan-2-ylphenyl) prop-2-enoate
CID 23590316
5-chloro-2-(2-ethoxyethoxy)-3-prop-2-enylbenzaldehyde
CID 54850175
4-butan-2-yl-2,6-diethylaniline
CID 12905471
4-butan-2-yl-2-hydroxybenzaldehyde
CID 10236044
5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde
CID 22039321
5-butan-2-yloxy-3-methylfuran-2-carbaldehyde
CID 175527858
4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol
CID 137047505
2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde
CID 25137677
1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine
CID 145179772

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde?
The IUPAC name of 5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde (CID 54849781) is 5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde.
What is the SMILES notation for 5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde?
The canonical SMILES for 5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde is C=CCc1cc(C(C)CC)cc(C=O)c1OC(C)CC.
What is the InChIKey of 5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde?
The InChIKey is LWQOAGCLSGCQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-6-9-15-10-16(13(4)7-2)11-17(12-19)18(15)20-14(5)8-3/h6,10-14H,1,7-9H2,2-5H3.
What are the key properties of 5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde?
5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde has a molecular weight of 274.40 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-butan-2-yloxy-3-prop-2-enylbenzaldehyde is sourced from PubChem (CID 54849781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).