4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane

C12H22O3 — CID 21349615

IUPAC4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane
SMILESCOC1(C)CC(C(C)C)OC(C)C12CO2
InChIInChI=1S/C12H22O3/c1-8(2)10-6-11(4,13-5)12(7-14-12)9(3)15-10/h8-10H,6-7H2,1-5H3
InChIKeyGVAYIDXZLPVLFL-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.99
Rot. Bonds2

About 4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane

4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane (PubChem CID 21349615) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane
PubChem CID21349615
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane
SMILESCOC1(C)CC(C(C)C)OC(C)C12CO2
InChIInChI=1S/C12H22O3/c1-8(2)10-6-11(4,13-5)12(7-14-12)9(3)15-10/h8-10H,6-7H2,1-5H3
InChIKeyGVAYIDXZLPVLFL-UHFFFAOYSA-N
XLogP1.99
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol
CID 59070474
1-[(2R,3R,5R)-2,3-dimethyl-5-propan-2-yloxolan-3-yl]ethanone
CID 102572284
4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol
CID 143759548
2,4-dimethyl-6-propan-2-yloxane
CID 86234215
2,2,4,6,6-pentamethyloxepane
CID 176567724
(2R,5S)-2,5-di(propan-2-yl)oxolane
CID 12641398
(4R)-3-methoxy-2,3,4-trimethyl-2-propan-2-yloxolane
CID 176679204
3-methyl-2,6-di(propan-2-yl)oxane
CID 144905870
(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
CID 738898
2,2-dimethoxy-4-methyloxane
CID 13134669
11-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(4-methoxy-4,8-dimethyl-1,7-dioxaspiro[2.5]octan-6-yl)oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one;vanadium
CID 161231791
4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine
CID 58313495

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane?
The IUPAC name of 4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane (CID 21349615) is 4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane.
What is the SMILES notation for 4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane?
The canonical SMILES for 4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane is COC1(C)CC(C(C)C)OC(C)C12CO2.
What is the InChIKey of 4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane?
The InChIKey is GVAYIDXZLPVLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-8(2)10-6-11(4,13-5)12(7-14-12)9(3)15-10/h8-10H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane?
4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane has a molecular weight of 214.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane is sourced from PubChem (CID 21349615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).