methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate

C10H16O4 — CID 79297979

IUPACmethyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
SMILESCOC(=O)C1(C(C)C)OC12CCOC2
InChIInChI=1S/C10H16O4/c1-7(2)10(8(11)12-3)9(14-10)4-5-13-6-9/h7H,4-6H2,1-3H3
InChIKeyQBCGPWRHWLTNFV-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.74
Rot. Bonds2

About methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate

methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate (PubChem CID 79297979) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
PubChem CID79297979
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
SMILESCOC(=O)C1(C(C)C)OC12CCOC2
InChIInChI=1S/C10H16O4/c1-7(2)10(8(11)12-3)9(14-10)4-5-13-6-9/h7H,4-6H2,1-3H3
InChIKeyQBCGPWRHWLTNFV-UHFFFAOYSA-N
XLogP0.74
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79298854
methyl 6-methyl-2-propan-2-yl-1,7-dioxaspiro[2.5]octane-2-carboxylate
CID 165444350
methyl 6-methyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79297870
methyl 5-methyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79298643
methyl 3-propan-2-yloxyoxolane-3-carboxylate
CID 122164212
methyl 5-ethyl-2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79299393
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
methyl 7-methyl-2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
CID 82717879
methyl 7-bromo-2'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-oxirane]-2'-carboxylate
CID 79298958
methyl 4,4-difluoro-3-(2-methylpropyl)oxane-3-carboxylate
CID 84798063
methyl 2'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylate
CID 79298955
methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384

Frequently Asked Questions

What is the IUPAC name of methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate?
The IUPAC name of methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate (CID 79297979) is methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate.
What is the SMILES notation for methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate?
The canonical SMILES for methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate is COC(=O)C1(C(C)C)OC12CCOC2.
What is the InChIKey of methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate?
The InChIKey is QBCGPWRHWLTNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-7(2)10(8(11)12-3)9(14-10)4-5-13-6-9/h7H,4-6H2,1-3H3.
What are the key properties of methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate?
methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propan-2-yl-1,6-dioxaspiro[2.4]heptane-2-carboxylate is sourced from PubChem (CID 79297979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).