5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde

C16H22O3 — CID 91183651

IUPAC5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde
SMILESCC=Cc1ccc(OCCCCCCO)cc1C=O
InChIInChI=1S/C16H22O3/c1-2-7-14-8-9-16(12-15(14)13-18)19-11-6-4-3-5-10-17/h2,7-9,12-13,17H,3-6,10-11H2,1H3
InChIKeyPKCWPCMHAFDEKL-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.46
Rot. Bonds9

About 5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde

5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde (PubChem CID 91183651) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde.

Molecular Properties

Compound Name5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde
PubChem CID91183651
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde
SMILESCC=Cc1ccc(OCCCCCCO)cc1C=O
InChIInChI=1S/C16H22O3/c1-2-7-14-8-9-16(12-15(14)13-18)19-11-6-4-3-5-10-17/h2,7-9,12-13,17H,3-6,10-11H2,1H3
InChIKeyPKCWPCMHAFDEKL-UHFFFAOYSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.46
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'}

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Related Compounds

2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde
CID 86617706
11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
[4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone
CID 144696670
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
5-(3-hydroxypropoxy)-2-nitrosobenzaldehyde
CID 89174165
4-hexoxy-2-hydroxybenzaldehyde
CID 13147236
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
CID 126699424
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506

Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde?
The IUPAC name of 5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde (CID 91183651) is 5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde.
What is the SMILES notation for 5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde?
The canonical SMILES for 5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde is CC=Cc1ccc(OCCCCCCO)cc1C=O.
What is the InChIKey of 5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde?
The InChIKey is PKCWPCMHAFDEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-2-7-14-8-9-16(12-15(14)13-18)19-11-6-4-3-5-10-17/h2,7-9,12-13,17H,3-6,10-11H2,1H3.
What are the key properties of 5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde?
5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde has a molecular weight of 262.35 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde is sourced from PubChem (CID 91183651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).