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

C19H36O6 — CID 21458420

IUPAC1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COC(C)COC(C)COC(C)COCCCC
InChIInChI=1S/C19H36O6/c1-7-9-10-21-11-15(3)22-12-16(4)23-13-17(5)24-14-18(6)25-19(20)8-2/h8,15-18H,2,7,9-14H2,1,3-6H3
InChIKeyLMTPOQSOSNHEPT-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.14
Rot. Bonds16

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

1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate (PubChem CID 21458420) has the molecular formula C19H36O6 and a molecular weight of 360.49 g/mol. Its IUPAC name is 1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
PubChem CID21458420
Molecular FormulaC19H36O6
Molecular Weight360.49 g/mol
Exact Mass360.25
IUPAC Name1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COC(C)COC(C)COC(C)COCCCC
InChIInChI=1S/C19H36O6/c1-7-9-10-21-11-15(3)22-12-16(4)23-13-17(5)24-14-18(6)25-19(20)8-2/h8,15-18H,2,7,9-14H2,1,3-6H3
InChIKeyLMTPOQSOSNHEPT-UHFFFAOYSA-N
XLogP3.14
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate
CID 20554752
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-[1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 91751167
2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
CID 146608012
2-methylprop-2-enoyl octadecanoate;1-[2-(2-prop-2-enoyloxypropoxy)propoxy]propan-2-yl prop-2-enoate
CID 174942339
1-nonan-4-yloxypropan-2-yl prop-2-enoate
CID 87898920
1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate
CID 121494098
butyl 3-prop-2-enoyloxybutanoate
CID 90254320
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 87968331
1-(1-butoxypropan-2-yloxy)propan-2-yl 2,3,4,5,6-pentafluorobenzoate
CID 91738734

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate?
The IUPAC name of 1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate (CID 21458420) is 1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate?
The canonical SMILES for 1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate is C=CC(=O)OC(C)COC(C)COC(C)COC(C)COCCCC.
What is the InChIKey of 1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate?
The InChIKey is LMTPOQSOSNHEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O6/c1-7-9-10-21-11-15(3)22-12-16(4)23-13-17(5)24-14-18(6)25-19(20)8-2/h8,15-18H,2,7,9-14H2,1,3-6H3.
What are the key properties of 1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate?
1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate has a molecular weight of 360.49 g/mol, XLogP of 3.14, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate is sourced from PubChem (CID 21458420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).