1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate

C18H26O5 — CID 69379024

IUPAC1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COC(C)COC(C)COc1ccccc1
InChIInChI=1S/C18H26O5/c1-5-18(19)23-16(4)13-21-14(2)11-20-15(3)12-22-17-9-7-6-8-10-17/h5-10,14-16H,1,11-13H2,2-4H3
InChIKeyPBVIZDNEUXYTCP-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.99
Rot. Bonds11

About 1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate

1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate (PubChem CID 69379024) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
PubChem CID69379024
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COC(C)COC(C)COc1ccccc1
InChIInChI=1S/C18H26O5/c1-5-18(19)23-16(4)13-21-14(2)11-20-15(3)12-22-17-9-7-6-8-10-17/h5-10,14-16H,1,11-13H2,2-4H3
InChIKeyPBVIZDNEUXYTCP-UHFFFAOYSA-N
XLogP2.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1-hydroxy-2-phenoxyethyl) prop-2-enoate
CID 66615997
1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate
CID 20746543
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate
CID 160871173
1-phenoxypropan-2-yl benzoate
CID 59854364
2-(2-prop-2-enoyloxypropoxycarbonyl)benzoic acid
CID 21421368
1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate
CID 20554752
(2-amino-3-phenoxypropyl) prop-2-enoate
CID 69463364
1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate
CID 158521665
[1-phenoxy-3-[4-[2-[2-[4-(3-phenoxy-2-prop-2-enoyloxypropoxy)phenyl]phenyl]phenyl]phenoxy]propan-2-yl] prop-2-enoate
CID 118671524
1-[1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 91751167

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate?
The IUPAC name of 1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate (CID 69379024) is 1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate?
The canonical SMILES for 1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate is C=CC(=O)OC(C)COC(C)COC(C)COc1ccccc1.
What is the InChIKey of 1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate?
The InChIKey is PBVIZDNEUXYTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-5-18(19)23-16(4)13-21-14(2)11-20-15(3)12-22-17-9-7-6-8-10-17/h5-10,14-16H,1,11-13H2,2-4H3.
What are the key properties of 1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate?
1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate has a molecular weight of 322.40 g/mol, XLogP of 2.99, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate is sourced from PubChem (CID 69379024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).