8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol

C11H20O3 — CID 58456119

IUPAC8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC(C)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C11H20O3/c1-9(2)10(12)3-5-11(6-4-10)13-7-8-14-11/h9,12H,3-8H2,1-2H3
InChIKeySKIREVHEZHGEHD-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.69
Rot. Bonds1

About 8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol

8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 58456119) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID58456119
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC(C)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C11H20O3/c1-9(2)10(12)3-5-11(6-4-10)13-7-8-14-11/h9,12H,3-8H2,1-2H3
InChIKeySKIREVHEZHGEHD-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol (CID 58456119) is 8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol is CC(C)C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is SKIREVHEZHGEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(2)10(12)3-5-11(6-4-10)13-7-8-14-11/h9,12H,3-8H2,1-2H3.
What are the key properties of 8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol?
8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 200.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 58456119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).