2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene

C11H22O2 — CID 545943

IUPAC2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene
SMILESC=C(C)C(OC(C)C)OC(C)(C)C
InChIInChI=1S/C11H22O2/c1-8(2)10(12-9(3)4)13-11(5,6)7/h9-10H,1H2,2-7H3
InChIKeyCIPOCFPZTWRFHQ-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.13
Rot. Bonds4

About 2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene

2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene (PubChem CID 545943) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene
PubChem CID545943
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene
SMILESC=C(C)C(OC(C)C)OC(C)(C)C
InChIInChI=1S/C11H22O2/c1-8(2)10(12-9(3)4)13-11(5,6)7/h9-10H,1H2,2-7H3
InChIKeyCIPOCFPZTWRFHQ-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
2-methyl-2-(1-prop-1-en-2-yloxyethenoxy)propane
CID 122522282
methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane
CID 174359960
acetic acid;2,2-di(propan-2-yloxy)acetic acid;titanium
CID 172768104
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
bis[(2-methylpropan-2-yl)oxy]methanol
CID 121276629
[3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate
CID 89076649
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
2-methylpropane;prop-1-en-2-amine
CID 174893746
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene?
The IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene (CID 545943) is 2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene.
What is the SMILES notation for 2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene?
The canonical SMILES for 2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene is C=C(C)C(OC(C)C)OC(C)(C)C.
What is the InChIKey of 2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene?
The InChIKey is CIPOCFPZTWRFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)10(12-9(3)4)13-11(5,6)7/h9-10H,1H2,2-7H3.
What are the key properties of 2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene?
2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene has a molecular weight of 186.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxyprop-1-ene is sourced from PubChem (CID 545943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).