2-hydroxy-5-undec-10-enoxybenzaldehyde

C18H26O3 — CID 21260819

IUPAC2-hydroxy-5-undec-10-enoxybenzaldehyde
SMILESC=CCCCCCCCCCOc1ccc(O)c(C=O)c1
InChIInChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-13-21-17-11-12-18(20)16(14-17)15-19/h2,11-12,14-15,20H,1,3-10,13H2
InChIKeyLWSVKIAGCQRXNB-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.89
Rot. Bonds12

About 2-hydroxy-5-undec-10-enoxybenzaldehyde

2-hydroxy-5-undec-10-enoxybenzaldehyde (PubChem CID 21260819) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-hydroxy-5-undec-10-enoxybenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-undec-10-enoxybenzaldehyde
PubChem CID21260819
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-hydroxy-5-undec-10-enoxybenzaldehyde
SMILESC=CCCCCCCCCCOc1ccc(O)c(C=O)c1
InChIInChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-13-21-17-11-12-18(20)16(14-17)15-19/h2,11-12,14-15,20H,1,3-10,13H2
InChIKeyLWSVKIAGCQRXNB-UHFFFAOYSA-N
XLogP4.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(4-undec-10-enoxyphenyl)benzaldehyde
CID 102474145
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
(4-non-8-enoxyphenyl)boronic acid
CID 142423597
4-hexoxy-2-hydroxybenzaldehyde
CID 13147236
4-undec-10-enoxybenzoate
CID 7009276
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde
CID 86617706
5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde
CID 145483773
3-fluoro-5-hept-6-enoxybenzaldehyde
CID 107007342
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
2,5-bis[(9Z,12Z)-octadeca-9,12-dienoxy]benzaldehyde
CID 118916470

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-undec-10-enoxybenzaldehyde?
The IUPAC name of 2-hydroxy-5-undec-10-enoxybenzaldehyde (CID 21260819) is 2-hydroxy-5-undec-10-enoxybenzaldehyde.
What is the SMILES notation for 2-hydroxy-5-undec-10-enoxybenzaldehyde?
The canonical SMILES for 2-hydroxy-5-undec-10-enoxybenzaldehyde is C=CCCCCCCCCCOc1ccc(O)c(C=O)c1.
What is the InChIKey of 2-hydroxy-5-undec-10-enoxybenzaldehyde?
The InChIKey is LWSVKIAGCQRXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-13-21-17-11-12-18(20)16(14-17)15-19/h2,11-12,14-15,20H,1,3-10,13H2.
What are the key properties of 2-hydroxy-5-undec-10-enoxybenzaldehyde?
2-hydroxy-5-undec-10-enoxybenzaldehyde has a molecular weight of 290.40 g/mol, XLogP of 4.89, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-undec-10-enoxybenzaldehyde is sourced from PubChem (CID 21260819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).