[(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol

C11H20O3 — CID 131857309

IUPAC[(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol
SMILESC[C@H]1CCCC2(OCCO2)[C@]1(C)CO
InChIInChI=1S/C11H20O3/c1-9-4-3-5-11(10(9,2)8-12)13-6-7-14-11/h9,12H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyKXCSHQLUXUSULW-VHSXEESVSA-N
MW200.28 g/mol
LogP1.55
Rot. Bonds1

About [(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol

[(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol (PubChem CID 131857309) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol.

Molecular Properties

Compound Name[(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol
PubChem CID131857309
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol
SMILESC[C@H]1CCCC2(OCCO2)[C@]1(C)CO
InChIInChI=1S/C11H20O3/c1-9-4-3-5-11(10(9,2)8-12)13-6-7-14-11/h9,12H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyKXCSHQLUXUSULW-VHSXEESVSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,2-dimethylcyclopentyl)methanol
CID 544196
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 135272503
(1'R,2'S,4'aS,8'aS)-1'-(hydroxymethyl)-1',4'a-dimethylspiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol
CID 10516210
(3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol
CID 100984466
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
[(3aR,7aR)-7,7-dimethyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7a-yl]methanol
CID 142081177
(1,2-dimethylcyclopentyl)-trimethylsilane
CID 175194717
[(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol
CID 132551470
2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane
CID 123651222
2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid
CID 83909857
(3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol
CID 130151002

Frequently Asked Questions

What is the IUPAC name of [(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol?
The IUPAC name of [(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol (CID 131857309) is [(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol.
What is the SMILES notation for [(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol?
The canonical SMILES for [(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol is C[C@H]1CCCC2(OCCO2)[C@]1(C)CO.
What is the InChIKey of [(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol?
The InChIKey is KXCSHQLUXUSULW-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20O3/c1-9-4-3-5-11(10(9,2)8-12)13-6-7-14-11/h9,12H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of [(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol?
[(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol has a molecular weight of 200.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol is sourced from PubChem (CID 131857309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).