1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate

C12H22O4 — CID 20554752

IUPAC1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COC(C)COCCC
InChIInChI=1S/C12H22O4/c1-5-7-14-8-10(3)15-9-11(4)16-12(13)6-2/h6,10-11H,2,5,7-9H2,1,3-4H3
InChIKeyKLKREAPVPKHKQC-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.94
Rot. Bonds9

About 1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate

1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate (PubChem CID 20554752) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate
PubChem CID20554752
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COC(C)COCCC
InChIInChI=1S/C12H22O4/c1-5-7-14-8-10(3)15-9-11(4)16-12(13)6-2/h6,10-11H,2,5,7-9H2,1,3-4H3
InChIKeyKLKREAPVPKHKQC-UHFFFAOYSA-N
XLogP1.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 21458420
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-[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-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 143697659
2-methylprop-2-enoyl octadecanoate;1-[2-(2-prop-2-enoyloxypropoxy)propoxy]propan-2-yl prop-2-enoate
CID 174942339
1-O-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yl] 2-O-[1-(1-prop-2-enoyloxypropan-2-yloxy)propan-2-yl] oxalate
CID 146180705
1-nonan-4-yloxypropan-2-yl prop-2-enoate
CID 87898920
2-[1-[2-[2-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)propoxy]propoxy]propoxy]propan-2-yloxycarbonylamino]ethyl prop-2-enoate
CID 153411308

Frequently Asked Questions

What is the IUPAC name of 1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate?
The IUPAC name of 1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate (CID 20554752) is 1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate?
The canonical SMILES for 1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate is C=CC(=O)OC(C)COC(C)COCCC.
What is the InChIKey of 1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate?
The InChIKey is KLKREAPVPKHKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-5-7-14-8-10(3)15-9-11(4)16-12(13)6-2/h6,10-11H,2,5,7-9H2,1,3-4H3.
What are the key properties of 1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate?
1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate has a molecular weight of 230.30 g/mol, XLogP of 1.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate is sourced from PubChem (CID 20554752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).