(7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol

C10H16O2 — CID 59964395

IUPAC(7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol
SMILESC=C1CCC(C)CC12OC2CO
InChIInChI=1S/C10H16O2/c1-7-3-4-8(2)10(5-7)9(6-11)12-10/h7,9,11H,2-6H2,1H3
InChIKeyMNFIRAWJVAKNLL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.49
Rot. Bonds1

About (7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol

(7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol (PubChem CID 59964395) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol.

Molecular Properties

Compound Name(7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol
PubChem CID59964395
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol
SMILESC=C1CCC(C)CC12OC2CO
InChIInChI=1S/C10H16O2/c1-7-3-4-8(2)10(5-7)9(6-11)12-10/h7,9,11H,2-6H2,1H3
InChIKeyMNFIRAWJVAKNLL-UHFFFAOYSA-N
XLogP1.49
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate
CID 54377646
(7S)-2-(hydroxymethyl)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-5-ol
CID 59977329
(1R,8S,9S,11R)-3,7,9,11-tetramethyl-12-oxatricyclo[6.3.1.01,6]dodec-6-en-10-one
CID 44518873
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
(2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol
CID 134289608
[(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol
CID 57379413
[(2R)-3,3-difluoro-5-methyloxolan-2-yl]methanol
CID 88976409
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967
[(2R,3R)-3-[2-[(1S,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-3-methyloxiran-2-yl]methanol
CID 162987726
[(2S,3S)-3-methyl-3-propyloxiran-2-yl]methanol
CID 130892033
[(1R,2R,2'S,4R)-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxirane]-2'-yl]methanol
CID 130831289

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol?
The IUPAC name of (7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol (CID 59964395) is (7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol.
What is the SMILES notation for (7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol?
The canonical SMILES for (7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol is C=C1CCC(C)CC12OC2CO.
What is the InChIKey of (7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol?
The InChIKey is MNFIRAWJVAKNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-3-4-8(2)10(5-7)9(6-11)12-10/h7,9,11H,2-6H2,1H3.
What are the key properties of (7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol?
(7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol has a molecular weight of 168.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol is sourced from PubChem (CID 59964395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).