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

C14H24O4 — CID 14715028

IUPAC2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol
SMILESCCCCC1=C(OC(C)C)C2(OCCO2)C1(C)O
InChIInChI=1S/C14H24O4/c1-5-6-7-11-12(18-10(2)3)14(13(11,4)15)16-8-9-17-14/h10,15H,5-9H2,1-4H3
InChIKeyCGOGKACEXSHPFF-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.36
Rot. Bonds5

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

2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol (PubChem CID 14715028) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol.

Molecular Properties

Compound Name2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol
PubChem CID14715028
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol
SMILESCCCCC1=C(OC(C)C)C2(OCCO2)C1(C)O
InChIInChI=1S/C14H24O4/c1-5-6-7-11-12(18-10(2)3)14(13(11,4)15)16-8-9-17-14/h10,15H,5-9H2,1-4H3
InChIKeyCGOGKACEXSHPFF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol?
The IUPAC name of 2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol (CID 14715028) is 2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol.
What is the SMILES notation for 2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol?
The canonical SMILES for 2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol is CCCCC1=C(OC(C)C)C2(OCCO2)C1(C)O.
What is the InChIKey of 2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol?
The InChIKey is CGOGKACEXSHPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-5-6-7-11-12(18-10(2)3)14(13(11,4)15)16-8-9-17-14/h10,15H,5-9H2,1-4H3.
What are the key properties of 2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol?
2-butyl-3-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 2-butyl-3-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-ol is sourced from PubChem (CID 14715028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).