2-(2-butoxypropoxy)propyl acetate;prop-1-ene

C15H30O4 — CID 157070456

IUPAC2-(2-butoxypropoxy)propyl acetate;prop-1-ene
SMILESC=CC.CCCCOC(C)COC(C)COC(C)=O
InChIInChI=1S/C12H24O4.C3H6/c1-5-6-7-14-10(2)8-15-11(3)9-16-12(4)13;1-3-2/h10-11H,5-9H2,1-4H3;3H,1H2,2H3
InChIKeyACJFGSYJPCKMOD-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.35
Rot. Bonds9

About 2-(2-butoxypropoxy)propyl acetate;prop-1-ene

2-(2-butoxypropoxy)propyl acetate;prop-1-ene (PubChem CID 157070456) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(2-butoxypropoxy)propyl acetate;prop-1-ene.

Molecular Properties

Compound Name2-(2-butoxypropoxy)propyl acetate;prop-1-ene
PubChem CID157070456
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2-(2-butoxypropoxy)propyl acetate;prop-1-ene
SMILESC=CC.CCCCOC(C)COC(C)COC(C)=O
InChIInChI=1S/C12H24O4.C3H6/c1-5-6-7-14-10(2)8-15-11(3)9-16-12(4)13;1-3-2/h10-11H,5-9H2,1-4H3;3H,1H2,2H3
InChIKeyACJFGSYJPCKMOD-UHFFFAOYSA-N
XLogP3.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-heptoxypropoxy)propyl acetate
CID 155100621
2-(2-ethenoxyethoxy)propyl acetate
CID 139969470
2-(2-butoxypropoxy)propyl octadecanoate
CID 87698050
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
CID 87518170
1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 21458420
butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 173003684
2-tetradecoxypropyl tetradecanoate
CID 170841381
acetic acid;2-methylpentyl acetate;tris(prop-1-ene);propyl acetate
CID 161499009
3-butan-2-yloxypropyl acetate
CID 134215719
2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate
CID 58422665
2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 11478535

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxypropoxy)propyl acetate;prop-1-ene?
The IUPAC name of 2-(2-butoxypropoxy)propyl acetate;prop-1-ene (CID 157070456) is 2-(2-butoxypropoxy)propyl acetate;prop-1-ene.
What is the SMILES notation for 2-(2-butoxypropoxy)propyl acetate;prop-1-ene?
The canonical SMILES for 2-(2-butoxypropoxy)propyl acetate;prop-1-ene is C=CC.CCCCOC(C)COC(C)COC(C)=O.
What is the InChIKey of 2-(2-butoxypropoxy)propyl acetate;prop-1-ene?
The InChIKey is ACJFGSYJPCKMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4.C3H6/c1-5-6-7-14-10(2)8-15-11(3)9-16-12(4)13;1-3-2/h10-11H,5-9H2,1-4H3;3H,1H2,2H3.
What are the key properties of 2-(2-butoxypropoxy)propyl acetate;prop-1-ene?
2-(2-butoxypropoxy)propyl acetate;prop-1-ene has a molecular weight of 274.40 g/mol, XLogP of 3.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxypropoxy)propyl acetate;prop-1-ene is sourced from PubChem (CID 157070456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).