butan-2-ol;2-prop-1-en-2-yloxybutane

C11H24O2 — CID 159582124

IUPACbutan-2-ol;2-prop-1-en-2-yloxybutane
SMILESC=C(C)OC(C)CC.CCC(C)O
InChIInChI=1S/C7H14O.C4H10O/c1-5-7(4)8-6(2)3;1-3-4(2)5/h7H,2,5H2,1,3-4H3;4-5H,3H2,1-2H3
InChIKeyMJDOGGKSNWOFEW-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.11
Rot. Bonds4

About butan-2-ol;2-prop-1-en-2-yloxybutane

butan-2-ol;2-prop-1-en-2-yloxybutane (PubChem CID 159582124) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is butan-2-ol;2-prop-1-en-2-yloxybutane.

Molecular Properties

Compound Namebutan-2-ol;2-prop-1-en-2-yloxybutane
PubChem CID159582124
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Namebutan-2-ol;2-prop-1-en-2-yloxybutane
SMILESC=C(C)OC(C)CC.CCC(C)O
InChIInChI=1S/C7H14O.C4H10O/c1-5-7(4)8-6(2)3;1-3-4(2)5/h7H,2,5H2,1,3-4H3;4-5H,3H2,1-2H3
InChIKeyMJDOGGKSNWOFEW-UHFFFAOYSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;butan-2-ol;butan-2-yl acetate;methane;hydroxide
CID 169429700
butan-2-ol;butan-2-yl acetate;(E)-but-2-ene
CID 167575507
pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
tris(butan-2-ol);gallane
CID 175569742
2,3-dimethylpent-1-ene;ethane
CID 143286891
2-butan-2-yloxyprop-2-enoic acid
CID 87059295
2-but-2-en-2-yloxybutane
CID 54492212
butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxymethoxy)prop-2-enyl acetate;methane
CID 159335875
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;2-prop-1-en-2-yloxybutane?
The IUPAC name of butan-2-ol;2-prop-1-en-2-yloxybutane (CID 159582124) is butan-2-ol;2-prop-1-en-2-yloxybutane.
What is the SMILES notation for butan-2-ol;2-prop-1-en-2-yloxybutane?
The canonical SMILES for butan-2-ol;2-prop-1-en-2-yloxybutane is C=C(C)OC(C)CC.CCC(C)O.
What is the InChIKey of butan-2-ol;2-prop-1-en-2-yloxybutane?
The InChIKey is MJDOGGKSNWOFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C4H10O/c1-5-7(4)8-6(2)3;1-3-4(2)5/h7H,2,5H2,1,3-4H3;4-5H,3H2,1-2H3.
What are the key properties of butan-2-ol;2-prop-1-en-2-yloxybutane?
butan-2-ol;2-prop-1-en-2-yloxybutane has a molecular weight of 188.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;2-prop-1-en-2-yloxybutane is sourced from PubChem (CID 159582124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).