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

C14H24O4 — CID 14715027

IUPAC3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol
SMILESCCCCC1(O)C(C)=C(OC(C)C)C12OCCO2
InChIInChI=1S/C14H24O4/c1-5-6-7-13(15)11(4)12(18-10(2)3)14(13)16-8-9-17-14/h10,15H,5-9H2,1-4H3
InChIKeyHOUYGABDNNMTPS-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.36
Rot. Bonds5

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

3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol (PubChem CID 14715027) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol.

Molecular Properties

Compound Name3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol
PubChem CID14715027
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol
SMILESCCCCC1(O)C(C)=C(OC(C)C)C12OCCO2
InChIInChI=1S/C14H24O4/c1-5-6-7-13(15)11(4)12(18-10(2)3)14(13)16-8-9-17-14/h10,15H,5-9H2,1-4H3
InChIKeyHOUYGABDNNMTPS-UHFFFAOYSA-N
XLogP2.36
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol?
The IUPAC name of 3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol (CID 14715027) is 3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol.
What is the SMILES notation for 3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol?
The canonical SMILES for 3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol is CCCCC1(O)C(C)=C(OC(C)C)C12OCCO2.
What is the InChIKey of 3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol?
The InChIKey is HOUYGABDNNMTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-5-6-7-13(15)11(4)12(18-10(2)3)14(13)16-8-9-17-14/h10,15H,5-9H2,1-4H3.
What are the key properties of 3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol?
3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol has a molecular weight of 256.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol is sourced from PubChem (CID 14715027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).