6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid

C14H18O4 — CID 139922099

IUPAC6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid
SMILESCOCOc1cccc(C=CCCCC(=O)O)c1
InChIInChI=1S/C14H18O4/c1-17-11-18-13-8-5-7-12(10-13)6-3-2-4-9-14(15)16/h3,5-8,10H,2,4,9,11H2,1H3,(H,15,16)
InChIKeyYWJLTEVDOIGKEX-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.94
Rot. Bonds8

About 6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid

6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid (PubChem CID 139922099) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid.

Molecular Properties

Compound Name6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid
PubChem CID139922099
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid
SMILESCOCOc1cccc(C=CCCCC(=O)O)c1
InChIInChI=1S/C14H18O4/c1-17-11-18-13-8-5-7-12(10-13)6-3-2-4-9-14(15)16/h3,5-8,10H,2,4,9,11H2,1H3,(H,15,16)
InChIKeyYWJLTEVDOIGKEX-UHFFFAOYSA-N
XLogP2.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid?
The IUPAC name of 6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid (CID 139922099) is 6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid.
What is the SMILES notation for 6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid?
The canonical SMILES for 6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid is COCOc1cccc(C=CCCCC(=O)O)c1.
What is the InChIKey of 6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid?
The InChIKey is YWJLTEVDOIGKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-17-11-18-13-8-5-7-12(10-13)6-3-2-4-9-14(15)16/h3,5-8,10H,2,4,9,11H2,1H3,(H,15,16).
What are the key properties of 6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid?
6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid has a molecular weight of 250.29 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid is sourced from PubChem (CID 139922099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).