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

C12H18O3 — CID 54377646

IUPAC[(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate
SMILESC=C1CC[C@@H](C)CC12OC2COC(C)=O
InChIInChI=1S/C12H18O3/c1-8-4-5-9(2)12(6-8)11(15-12)7-14-10(3)13/h8,11H,2,4-7H2,1,3H3/t8-,11?,12?/m1/s1
InChIKeyUXRQBRQARUWOGI-HUUUCTMMSA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds2

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

[(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate (PubChem CID 54377646) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is [(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate
PubChem CID54377646
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name[(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate
SMILESC=C1CC[C@@H](C)CC12OC2COC(C)=O
InChIInChI=1S/C12H18O3/c1-8-4-5-9(2)12(6-8)11(15-12)7-14-10(3)13/h8,11H,2,4-7H2,1,3H3/t8-,11?,12?/m1/s1
InChIKeyUXRQBRQARUWOGI-HUUUCTMMSA-N
XLogP2.06
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl)methanol
CID 59964395
[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate
CID 14238819
[(3R)-1-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
CID 168973953
(3-bromo-2,2-dimethyl-6-methylidenecyclohexyl)methyl acetate
CID 101240124
ethane;(4-methylcyclohexyl)methyl acetate
CID 144507702
cyclopropylmethyl acetate
CID 538333
[(2S,3S)-3-methyl-3-pent-4-enyloxiran-2-yl]methyl acetate
CID 57205835
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
CID 12624048
[(1R,2R,6R,7R,9S)-4,4-dimethyl-12-oxo-3,5,8-trioxa-13-azatricyclo[7.4.0.02,6]tridecan-7-yl]methyl acetate
CID 167524351
[(5S,6S,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
CID 58526271
2-oxaspiro[4.5]decan-1-ylmethyl acetate
CID 102349423
[(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate
CID 10539435

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate?
The IUPAC name of [(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate (CID 54377646) is [(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate.
What is the SMILES notation for [(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate?
The canonical SMILES for [(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate is C=C1CC[C@@H](C)CC12OC2COC(C)=O.
What is the InChIKey of [(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate?
The InChIKey is UXRQBRQARUWOGI-HUUUCTMMSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-4-5-9(2)12(6-8)11(15-12)7-14-10(3)13/h8,11H,2,4-7H2,1,3H3/t8-,11?,12?/m1/s1.
What are the key properties of [(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate?
[(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate has a molecular weight of 210.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate is sourced from PubChem (CID 54377646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).