2-methyl-2-prop-2-enoxybutane

C8H16O — CID 12547559

IUPAC2-methyl-2-prop-2-enoxybutane
SMILESC=CCOC(C)(C)CC
InChIInChI=1S/C8H16O/c1-5-7-9-8(3,4)6-2/h5H,1,6-7H2,2-4H3
InChIKeyXWDYFVMBWGGLNR-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds4

About 2-methyl-2-prop-2-enoxybutane

2-methyl-2-prop-2-enoxybutane (PubChem CID 12547559) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enoxybutane.

Molecular Properties

Compound Name2-methyl-2-prop-2-enoxybutane
PubChem CID12547559
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-methyl-2-prop-2-enoxybutane
SMILESC=CCOC(C)(C)CC
InChIInChI=1S/C8H16O/c1-5-7-9-8(3,4)6-2/h5H,1,6-7H2,2-4H3
InChIKeyXWDYFVMBWGGLNR-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1,1-Dimethylethoxy)-1-propene
CID 137021
1,1-Dimethylethyl 2-methyl-2-propenyl ether
CID 12962883
(2-Methylbutyl)allyl ether
CID 13315701
Allyl neopentyl ether
CID 20038083
2,2-Difluoro-3-methyl-3-prop-2-enoxybutane
CID 168175448
1-Methoxy-1,1-dimethyl-3-prop-2-enyloxypropane
CID 44602792
Lithium 2-methyl-2-prop-2-enoxypropane
CID 10986203
1,1-Dimethyl-2-propenyl 3-methylbutyl ether
CID 129658011
1,1-Dimethylpropyl 3-methyl-2-butenyl ether
CID 129658015
Vinyl-Allyl-Ather
CID 129888346
Lithium 2-methyl-2-prop-2-enoxypropane
CID 134906405
Butane, 2,3-dimethyl-2,3-bis(2-propenyloxy)-
CID 11745624

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-enoxybutane?
The IUPAC name of 2-methyl-2-prop-2-enoxybutane (CID 12547559) is 2-methyl-2-prop-2-enoxybutane.
What is the SMILES notation for 2-methyl-2-prop-2-enoxybutane?
The canonical SMILES for 2-methyl-2-prop-2-enoxybutane is C=CCOC(C)(C)CC.
What is the InChIKey of 2-methyl-2-prop-2-enoxybutane?
The InChIKey is XWDYFVMBWGGLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-7-9-8(3,4)6-2/h5H,1,6-7H2,2-4H3.
What are the key properties of 2-methyl-2-prop-2-enoxybutane?
2-methyl-2-prop-2-enoxybutane has a molecular weight of 128.21 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enoxybutane is sourced from PubChem (CID 12547559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).