propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate

C16H28O4 — CID 14214412

IUPACpropan-2-yl 5-(oxan-2-yloxy)oct-7-enoate
SMILESC=CCC(CCCC(=O)OC(C)C)OC1CCCCO1
InChIInChI=1S/C16H28O4/c1-4-8-14(20-16-11-5-6-12-18-16)9-7-10-15(17)19-13(2)3/h4,13-14,16H,1,5-12H2,2-3H3
InChIKeyRHAPWFFZWIZFIN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.60
Rot. Bonds9

About propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate

propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate (PubChem CID 14214412) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate.

Molecular Properties

Compound Namepropan-2-yl 5-(oxan-2-yloxy)oct-7-enoate
PubChem CID14214412
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Namepropan-2-yl 5-(oxan-2-yloxy)oct-7-enoate
SMILESC=CCC(CCCC(=O)OC(C)C)OC1CCCCO1
InChIInChI=1S/C16H28O4/c1-4-8-14(20-16-11-5-6-12-18-16)9-7-10-15(17)19-13(2)3/h4,13-14,16H,1,5-12H2,2-3H3
InChIKeyRHAPWFFZWIZFIN-UHFFFAOYSA-N
XLogP3.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(10R)-10-(oxan-2-yloxy)dodec-1-en-6-one
CID 10468996
Methyl 3-[(2r)-2-(tetrahydro-2h-pyran-2-yl-oxy)heptyl]but-3-enoate
CID 71747222
ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate
CID 102355071
ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate
CID 134905044
Ethyl 5-(oxan-2-yloxy)hept-6-enoate
CID 138975792
methyl 2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-pent-4-enoxyoxan-2-yl]acetate
CID 171482306
(E)-10-(oxan-2-yloxy)dodec-2-en-6-one
CID 10379057
(E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one
CID 10446523
methyl (Z)-12-(oxan-2-yloxy)octadec-9-enoate
CID 10992948
[(6S)-6-prop-2-enyloxan-2-yl] acetate
CID 11550112
methyl (Z)-12-(oxan-2-yloxy)dodec-9-enoate
CID 11833940
methyl (5S)-5-(oxan-2-yloxy)hept-6-enoate
CID 46210268

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate?
The IUPAC name of propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate (CID 14214412) is propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate.
What is the SMILES notation for propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate?
The canonical SMILES for propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate is C=CCC(CCCC(=O)OC(C)C)OC1CCCCO1.
What is the InChIKey of propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate?
The InChIKey is RHAPWFFZWIZFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-4-8-14(20-16-11-5-6-12-18-16)9-7-10-15(17)19-13(2)3/h4,13-14,16H,1,5-12H2,2-3H3.
What are the key properties of propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate?
propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate has a molecular weight of 284.40 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate is sourced from PubChem (CID 14214412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).