1-but-2-en-2-yloxy-3-methylbutane

C9H18O — CID 123230570

IUPAC1-but-2-en-2-yloxy-3-methylbutane
SMILESCC=C(C)OCCC(C)C
InChIInChI=1S/C9H18O/c1-5-9(4)10-7-6-8(2)3/h5,8H,6-7H2,1-4H3
InChIKeyFVFUTXACDHPRSD-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.97
Rot. Bonds4

About 1-but-2-en-2-yloxy-3-methylbutane

1-but-2-en-2-yloxy-3-methylbutane (PubChem CID 123230570) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-but-2-en-2-yloxy-3-methylbutane.

Molecular Properties

Compound Name1-but-2-en-2-yloxy-3-methylbutane
PubChem CID123230570
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-but-2-en-2-yloxy-3-methylbutane
SMILESCC=C(C)OCCC(C)C
InChIInChI=1S/C9H18O/c1-5-9(4)10-7-6-8(2)3/h5,8H,6-7H2,1-4H3
InChIKeyFVFUTXACDHPRSD-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-methylbutyl (Z)-but-2-enoate
CID 93481892
acetaldehyde;ethyl acetate;3-methylbutyl acetate
CID 160802791
3-methylbutyl acetate;oxophosphanium
CID 159706016
O-(3-methylbutyl)hydroxylamine chloride
CID 21205587
6-(3-methylbutoxy)octa-1,6-diene
CID 87447746
3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene
CID 172778067
3-methylbutyl 3,4-dimethylhept-2-enoate
CID 123480664
azane;O-(3-methylbutyl)hydroxylamine;dihydrochloride
CID 173322149
(E)-2-(3-fluoropropoxy)but-2-ene
CID 142369968
(Z)-but-2-ene;2,5-dimethylhexane
CID 144935211
[(Z)-but-2-en-2-yl]oxymethanamine
CID 141115606
but-2-en-2-yloxymethanamine
CID 54051343

Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yloxy-3-methylbutane?
The IUPAC name of 1-but-2-en-2-yloxy-3-methylbutane (CID 123230570) is 1-but-2-en-2-yloxy-3-methylbutane.
What is the SMILES notation for 1-but-2-en-2-yloxy-3-methylbutane?
The canonical SMILES for 1-but-2-en-2-yloxy-3-methylbutane is CC=C(C)OCCC(C)C.
What is the InChIKey of 1-but-2-en-2-yloxy-3-methylbutane?
The InChIKey is FVFUTXACDHPRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-9(4)10-7-6-8(2)3/h5,8H,6-7H2,1-4H3.
What are the key properties of 1-but-2-en-2-yloxy-3-methylbutane?
1-but-2-en-2-yloxy-3-methylbutane has a molecular weight of 142.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yloxy-3-methylbutane is sourced from PubChem (CID 123230570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).