5-methoxy-2-undecoxybenzaldehyde

C19H30O3 — CID 15617492

IUPAC5-methoxy-2-undecoxybenzaldehyde
SMILESCCCCCCCCCCCOc1ccc(OC)cc1C=O
InChIInChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-11-14-22-19-13-12-18(21-2)15-17(19)16-20/h12-13,15-16H,3-11,14H2,1-2H3
InChIKeyHBIACBNLRRMENF-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.42
Rot. Bonds13

About 5-methoxy-2-undecoxybenzaldehyde

5-methoxy-2-undecoxybenzaldehyde (PubChem CID 15617492) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-methoxy-2-undecoxybenzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-undecoxybenzaldehyde
PubChem CID15617492
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name5-methoxy-2-undecoxybenzaldehyde
SMILESCCCCCCCCCCCOc1ccc(OC)cc1C=O
InChIInChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-11-14-22-19-13-12-18(21-2)15-17(19)16-20/h12-13,15-16H,3-11,14H2,1-2H3
InChIKeyHBIACBNLRRMENF-UHFFFAOYSA-N
XLogP5.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2,5-bis[(9Z,12Z)-octadeca-9,12-dienoxy]benzaldehyde
CID 118916470
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
5-methoxy-2-nonoxyaniline
CID 43128995
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
4-butoxybenzene-1,3-dicarbaldehyde
CID 155702679
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde
CID 101201557
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145
(5-methoxy-2-pentoxyphenyl)boronic acid
CID 104706038
5-methoxy-2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033823
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
2-decoxy-5-nitrobenzaldehyde
CID 25058968

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-undecoxybenzaldehyde?
The IUPAC name of 5-methoxy-2-undecoxybenzaldehyde (CID 15617492) is 5-methoxy-2-undecoxybenzaldehyde.
What is the SMILES notation for 5-methoxy-2-undecoxybenzaldehyde?
The canonical SMILES for 5-methoxy-2-undecoxybenzaldehyde is CCCCCCCCCCCOc1ccc(OC)cc1C=O.
What is the InChIKey of 5-methoxy-2-undecoxybenzaldehyde?
The InChIKey is HBIACBNLRRMENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-11-14-22-19-13-12-18(21-2)15-17(19)16-20/h12-13,15-16H,3-11,14H2,1-2H3.
What are the key properties of 5-methoxy-2-undecoxybenzaldehyde?
5-methoxy-2-undecoxybenzaldehyde has a molecular weight of 306.45 g/mol, XLogP of 5.42, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-undecoxybenzaldehyde is sourced from PubChem (CID 15617492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).