2-butoxy-2-propan-2-yloxybutane

C11H24O2 — CID 174800754

IUPAC2-butoxy-2-propan-2-yloxybutane
SMILESCCCCOC(C)(CC)OC(C)C
InChIInChI=1S/C11H24O2/c1-6-8-9-12-11(5,7-2)13-10(3)4/h10H,6-9H2,1-5H3
InChIKeyZFCUGSWKMDDCHY-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.35
Rot. Bonds7

About 2-butoxy-2-propan-2-yloxybutane

2-butoxy-2-propan-2-yloxybutane (PubChem CID 174800754) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-butoxy-2-propan-2-yloxybutane.

Molecular Properties

Compound Name2-butoxy-2-propan-2-yloxybutane
PubChem CID174800754
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-butoxy-2-propan-2-yloxybutane
SMILESCCCCOC(C)(CC)OC(C)C
InChIInChI=1S/C11H24O2/c1-6-8-9-12-11(5,7-2)13-10(3)4/h10H,6-9H2,1-5H3
InChIKeyZFCUGSWKMDDCHY-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dibutoxypropan-1-ol
CID 145497919
3-butoxy-3-methylpentan-2-ol
CID 175045885
carbanide;2,2-diheptoxypropan-1-ol;yttrium
CID 58517147
1,1-dibutoxy-1,2-di(propan-2-yloxy)decane
CID 151291565
1-(2,3-dimethylbutan-2-yloxy)decane
CID 172756117
1-butoxypropane-1,1-diamine
CID 87535027
5,6-dibutoxy-5,6-dimethyldecane
CID 152500539
2-butoxy-5-ethyl-2,5,6-trimethyloctane
CID 91518034
1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol
CID 151582947
2-hexoxy-N,2-dimethylbutan-1-amine
CID 62354031
1-butan-2-yloxy-5-butoxy-5-methylheptane
CID 173302363
1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-2-propan-2-yloxybutane?
The IUPAC name of 2-butoxy-2-propan-2-yloxybutane (CID 174800754) is 2-butoxy-2-propan-2-yloxybutane.
What is the SMILES notation for 2-butoxy-2-propan-2-yloxybutane?
The canonical SMILES for 2-butoxy-2-propan-2-yloxybutane is CCCCOC(C)(CC)OC(C)C.
What is the InChIKey of 2-butoxy-2-propan-2-yloxybutane?
The InChIKey is ZFCUGSWKMDDCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-8-9-12-11(5,7-2)13-10(3)4/h10H,6-9H2,1-5H3.
What are the key properties of 2-butoxy-2-propan-2-yloxybutane?
2-butoxy-2-propan-2-yloxybutane has a molecular weight of 188.31 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2-propan-2-yloxybutane is sourced from PubChem (CID 174800754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).