3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol

C17H30O4 — CID 14715030

IUPAC3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol
SMILESCCCCC1(O)C(C(C)(C)C)=C(OC(C)C)C12OCCO2
InChIInChI=1S/C17H30O4/c1-7-8-9-16(18)13(15(4,5)6)14(21-12(2)3)17(16)19-10-11-20-17/h12,18H,7-11H2,1-6H3
InChIKeyBPGYZXSICXJJOV-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.39
Rot. Bonds5

About 3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol

3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol (PubChem CID 14715030) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is 3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol.

Molecular Properties

Compound Name3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol
PubChem CID14715030
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol
SMILESCCCCC1(O)C(C(C)(C)C)=C(OC(C)C)C12OCCO2
InChIInChI=1S/C17H30O4/c1-7-8-9-16(18)13(15(4,5)6)14(21-12(2)3)17(16)19-10-11-20-17/h12,18H,7-11H2,1-6H3
InChIKeyBPGYZXSICXJJOV-UHFFFAOYSA-N
XLogP3.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol?
The IUPAC name of 3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol (CID 14715030) is 3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol.
What is the SMILES notation for 3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol?
The canonical SMILES for 3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol is CCCCC1(O)C(C(C)(C)C)=C(OC(C)C)C12OCCO2.
What is the InChIKey of 3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol?
The InChIKey is BPGYZXSICXJJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-7-8-9-16(18)13(15(4,5)6)14(21-12(2)3)17(16)19-10-11-20-17/h12,18H,7-11H2,1-6H3.
What are the key properties of 3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol?
3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol has a molecular weight of 298.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol is sourced from PubChem (CID 14715030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).