methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate

C19H26O4 — CID 67981109

IUPACmethyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate
SMILESC=C(C)OC(CCCCC)Oc1ccc(C=CC(=O)OC)cc1
InChIInChI=1S/C19H26O4/c1-5-6-7-8-19(22-15(2)3)23-17-12-9-16(10-13-17)11-14-18(20)21-4/h9-14,19H,2,5-8H2,1,3-4H3
InChIKeyPQRXSDYYFSPNDE-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.71
Rot. Bonds10

About methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate

methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate (PubChem CID 67981109) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate
PubChem CID67981109
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Namemethyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate
SMILESC=C(C)OC(CCCCC)Oc1ccc(C=CC(=O)OC)cc1
InChIInChI=1S/C19H26O4/c1-5-6-7-8-19(22-15(2)3)23-17-12-9-16(10-13-17)11-14-18(20)21-4/h9-14,19H,2,5-8H2,1,3-4H3
InChIKeyPQRXSDYYFSPNDE-UHFFFAOYSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-hexoxyphenyl)prop-2-enoate
CID 54420743
3-[5-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]pentyl]undecyl 2-methylprop-2-enoate
CID 67981815
methyl (E)-3-[3-methoxy-4-[6-[4-[2-[6-(1-prop-2-enoyloxyhexoxy)naphthalen-2-yl]ethynyl]phenoxy]hexoxy]phenyl]prop-2-enoate
CID 69107224
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
[3-ethyl-2-[6-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]hexyl]decyl] 2-methylprop-2-enoate
CID 67981518
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
azanium;octan-3-yl 3-(4-methoxyphenyl)prop-2-enoate;hydroxide
CID 161196227
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl (E)-3-[4-(4-pentylphenyl)phenyl]prop-2-enoate
CID 21182474
[2-ethyl-8-[4-(3-methoxy-3-oxoprop-1-enyl)phenoxy]octyl] 2-methylprop-2-enoate
CID 67981142
methyl (E)-3-[4-(4-heptylphenyl)phenyl]prop-2-enoate
CID 21182316
1-[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]oxyundecyl 2-methylprop-2-enoate
CID 70123750

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate?
The IUPAC name of methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate (CID 67981109) is methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate is C=C(C)OC(CCCCC)Oc1ccc(C=CC(=O)OC)cc1.
What is the InChIKey of methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate?
The InChIKey is PQRXSDYYFSPNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-5-6-7-8-19(22-15(2)3)23-17-12-9-16(10-13-17)11-14-18(20)21-4/h9-14,19H,2,5-8H2,1,3-4H3.
What are the key properties of methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate?
methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate has a molecular weight of 318.41 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(1-prop-1-en-2-yloxyhexoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 67981109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).