(5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol

C14H24O3 — CID 154663039

IUPAC(5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol
SMILESCC1(C)COC2(CC3CC(CO)CC3C2)OC1
InChIInChI=1S/C14H24O3/c1-13(2)8-16-14(17-9-13)5-11-3-10(7-15)4-12(11)6-14/h10-12,15H,3-9H2,1-2H3
InChIKeyKKIUSKUADKRJSK-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.18
Rot. Bonds1

About (5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol

(5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol (PubChem CID 154663039) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol.

Molecular Properties

Compound Name(5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol
PubChem CID154663039
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol
SMILESCC1(C)COC2(CC3CC(CO)CC3C2)OC1
InChIInChI=1S/C14H24O3/c1-13(2)8-16-14(17-9-13)5-11-3-10(7-15)4-12(11)6-14/h10-12,15H,3-9H2,1-2H3
InChIKeyKKIUSKUADKRJSK-UHFFFAOYSA-N
XLogP2.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol?
The IUPAC name of (5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol (CID 154663039) is (5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol.
What is the SMILES notation for (5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol?
The canonical SMILES for (5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol is CC1(C)COC2(CC3CC(CO)CC3C2)OC1.
What is the InChIKey of (5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol?
The InChIKey is KKIUSKUADKRJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-13(2)8-16-14(17-9-13)5-11-3-10(7-15)4-12(11)6-14/h10-12,15H,3-9H2,1-2H3.
What are the key properties of (5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol?
(5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol has a molecular weight of 240.34 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol is sourced from PubChem (CID 154663039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).