1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene

C12H24O2 — CID 134299988

IUPAC1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene
SMILESCOC(C)(C)CCOCC(C)=C(C)C
InChIInChI=1S/C12H24O2/c1-10(2)11(3)9-14-8-7-12(4,5)13-6/h7-9H2,1-6H3
InChIKeyBHVWPEQXEMLETP-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.17
Rot. Bonds6

About 1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene

1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene (PubChem CID 134299988) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene
PubChem CID134299988
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene
SMILESCOC(C)(C)CCOCC(C)=C(C)C
InChIInChI=1S/C12H24O2/c1-10(2)11(3)9-14-8-7-12(4,5)13-6/h7-9H2,1-6H3
InChIKeyBHVWPEQXEMLETP-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-3-methylbutoxy)ethanethioamide
CID 106665735
N'-hydroxy-2-(3-methoxy-3-methylbutoxy)ethanimidamide
CID 106665827
4-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421309
N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine
CID 106666324
2-chloro-3-(3-methoxy-3-methylbutoxy)propanoic acid
CID 106668319
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
3-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid
CID 106664715
1-chloro-3-(3-methoxy-3-methylbutoxy)propan-2-ol
CID 106665499
N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667762
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene?
The IUPAC name of 1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene (CID 134299988) is 1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene.
What is the SMILES notation for 1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene?
The canonical SMILES for 1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene is COC(C)(C)CCOCC(C)=C(C)C.
What is the InChIKey of 1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene?
The InChIKey is BHVWPEQXEMLETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)11(3)9-14-8-7-12(4,5)13-6/h7-9H2,1-6H3.
What are the key properties of 1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene?
1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene has a molecular weight of 200.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene is sourced from PubChem (CID 134299988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).