6-(5-phenylpentoxy)hexyl formate

C18H28O3 — CID 87852728

IUPAC6-(5-phenylpentoxy)hexyl formate
SMILESO=COCCCCCCOCCCCCc1ccccc1
InChIInChI=1S/C18H28O3/c19-17-21-16-9-2-1-8-14-20-15-10-4-7-13-18-11-5-3-6-12-18/h3,5-6,11-12,17H,1-2,4,7-10,13-16H2
InChIKeyWYVAKOOIDXEFNS-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.15
Rot. Bonds14

About 6-(5-phenylpentoxy)hexyl formate

6-(5-phenylpentoxy)hexyl formate (PubChem CID 87852728) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 6-(5-phenylpentoxy)hexyl formate.

Molecular Properties

Compound Name6-(5-phenylpentoxy)hexyl formate
PubChem CID87852728
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name6-(5-phenylpentoxy)hexyl formate
SMILESO=COCCCCCCOCCCCCc1ccccc1
InChIInChI=1S/C18H28O3/c19-17-21-16-9-2-1-8-14-20-15-10-4-7-13-18-11-5-3-6-12-18/h3,5-6,11-12,17H,1-2,4,7-10,13-16H2
InChIKeyWYVAKOOIDXEFNS-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.15
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

18-phenyloctadecyl formate
CID 173425595
8-(8-phenyloctoxy)octylbenzene
CID 56628536
5-(4-phenylmethoxyphenyl)pentyl formate
CID 87852449
10-butoxydecylbenzene
CID 151496754
4-(8-bromooctoxy)butylbenzene
CID 67807190
14-propoxytetradecylbenzene
CID 126562833
6-propoxyhexylbenzene
CID 54255597
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
4-heptoxybutylbenzene;methane
CID 158099440
carbanide;4-heptoxybutylbenzene
CID 158344773
6-ethoxyhexylbenzene
CID 54300935

Frequently Asked Questions

What is the IUPAC name of 6-(5-phenylpentoxy)hexyl formate?
The IUPAC name of 6-(5-phenylpentoxy)hexyl formate (CID 87852728) is 6-(5-phenylpentoxy)hexyl formate.
What is the SMILES notation for 6-(5-phenylpentoxy)hexyl formate?
The canonical SMILES for 6-(5-phenylpentoxy)hexyl formate is O=COCCCCCCOCCCCCc1ccccc1.
What is the InChIKey of 6-(5-phenylpentoxy)hexyl formate?
The InChIKey is WYVAKOOIDXEFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c19-17-21-16-9-2-1-8-14-20-15-10-4-7-13-18-11-5-3-6-12-18/h3,5-6,11-12,17H,1-2,4,7-10,13-16H2.
What are the key properties of 6-(5-phenylpentoxy)hexyl formate?
6-(5-phenylpentoxy)hexyl formate has a molecular weight of 292.42 g/mol, XLogP of 4.15, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-phenylpentoxy)hexyl formate is sourced from PubChem (CID 87852728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).