8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol

C12H22O4 — CID 57202917

IUPAC8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC(O)CCC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C12H22O4/c1-10(13)2-3-11(14)4-6-12(7-5-11)15-8-9-16-12/h10,13-14H,2-9H2,1H3
InChIKeyBNPIMYURYYFYIT-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.20
Rot. Bonds3

About 8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 57202917) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID57202917
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC(O)CCC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C12H22O4/c1-10(13)2-3-11(14)4-6-12(7-5-11)15-8-9-16-12/h10,13-14H,2-9H2,1H3
InChIKeyBNPIMYURYYFYIT-UHFFFAOYSA-N
XLogP1.20
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-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 8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 57202917) is 8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol is CC(O)CCC1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is BNPIMYURYYFYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-10(13)2-3-11(14)4-6-12(7-5-11)15-8-9-16-12/h10,13-14H,2-9H2,1H3.
What are the key properties of 8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 230.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 57202917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).