4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole

C10H16O3 — CID 89274496

IUPAC4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole
SMILESC=C1OC(C)=C(COC(C)(C)C)O1
InChIInChI=1S/C10H16O3/c1-7-9(13-8(2)12-7)6-11-10(3,4)5/h2,6H2,1,3-5H3
InChIKeyNODWZVQRCFFIHU-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.55
Rot. Bonds2

About 4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole

4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole (PubChem CID 89274496) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole.

Molecular Properties

Compound Name4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole
PubChem CID89274496
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole
SMILESC=C1OC(C)=C(COC(C)(C)C)O1
InChIInChI=1S/C10H16O3/c1-7-9(13-8(2)12-7)6-11-10(3,4)5/h2,6H2,1,3-5H3
InChIKeyNODWZVQRCFFIHU-UHFFFAOYSA-N
XLogP2.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole?
The IUPAC name of 4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole (CID 89274496) is 4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole.
What is the SMILES notation for 4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole?
The canonical SMILES for 4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole is C=C1OC(C)=C(COC(C)(C)C)O1.
What is the InChIKey of 4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole?
The InChIKey is NODWZVQRCFFIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-9(13-8(2)12-7)6-11-10(3,4)5/h2,6H2,1,3-5H3.
What are the key properties of 4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole?
4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole has a molecular weight of 184.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxole is sourced from PubChem (CID 89274496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).