(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol

C10H18O3 — CID 135272503

IUPAC(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
SMILESCC1(C)[C@H](O)CCCC12OCCO2
InChIInChI=1S/C10H18O3/c1-9(2)8(11)4-3-5-10(9)12-6-7-13-10/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyCZFMYOJUSUXFNR-MRVPVSSYSA-N
MW186.25 g/mol
LogP1.30
Rot. Bonds

About (7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol

(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol (PubChem CID 135272503) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol.

Molecular Properties

Compound Name(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
PubChem CID135272503
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
SMILESCC1(C)[C@H](O)CCCC12OCCO2
InChIInChI=1S/C10H18O3/c1-9(2)8(11)4-3-5-10(9)12-6-7-13-10/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyCZFMYOJUSUXFNR-MRVPVSSYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol
CID 100984466
[(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol
CID 131857309
(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
cis-(1R,2R)-2-amino-2-methylcyclopentan-1-ol
CID 18659395
2,2,3,3-tetramethylcyclopentan-1-ol
CID 20584587
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
(7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane
CID 59054980
1-trimethylsilylcyclopentane-1,2-diol
CID 78128825
(1'S,3'aR,7'aS)-7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol
CID 11183452
(4'aS,8'aS)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-2'-one
CID 12506826
(2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]
CID 142407594
2,2-dimethylcyclohexan-1-ol
CID 557637

Frequently Asked Questions

What is the IUPAC name of (7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol?
The IUPAC name of (7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol (CID 135272503) is (7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol.
What is the SMILES notation for (7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol?
The canonical SMILES for (7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol is CC1(C)[C@H](O)CCCC12OCCO2.
What is the InChIKey of (7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol?
The InChIKey is CZFMYOJUSUXFNR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2)8(11)4-3-5-10(9)12-6-7-13-10/h8,11H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol?
(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol has a molecular weight of 186.25 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol is sourced from PubChem (CID 135272503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).