methane;1-propan-2-yloxybutane

C9H24O — CID 158518476

IUPACmethane;1-propan-2-yloxybutane
SMILESC.C.CCCCOC(C)C
InChIInChI=1S/C7H16O.2CH4/c1-4-5-6-8-7(2)3;;/h7H,4-6H2,1-3H3;2*1H4
InChIKeyHLXPJILYBWLQSN-UHFFFAOYSA-N
MW148.29 g/mol
LogP3.48
Rot. Bonds4

About methane;1-propan-2-yloxybutane

methane;1-propan-2-yloxybutane (PubChem CID 158518476) has the molecular formula C9H24O and a molecular weight of 148.29 g/mol. Its IUPAC name is methane;1-propan-2-yloxybutane.

Molecular Properties

Compound Namemethane;1-propan-2-yloxybutane
PubChem CID158518476
Molecular FormulaC9H24O
Molecular Weight148.29 g/mol
Exact Mass148.18
IUPAC Namemethane;1-propan-2-yloxybutane
SMILESC.C.CCCCOC(C)C
InChIInChI=1S/C7H16O.2CH4/c1-4-5-6-8-7(2)3;;/h7H,4-6H2,1-3H3;2*1H4
InChIKeyHLXPJILYBWLQSN-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yloxybutane;zirconium
CID 174617524
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
1,6-di(propan-2-yloxy)hexane
CID 10899702
1,1,4,4-tetrabutoxybutane
CID 139887225
bicyclo[3.1.0]hexa-1(6),2,4-triene;1-propan-2-yloxybutane
CID 175092585
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
azane;1-propan-2-yloxydodecane;sulfuric acid
CID 175080413
N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
1,1-dibutoxyoctane
CID 54557001

Frequently Asked Questions

What is the IUPAC name of methane;1-propan-2-yloxybutane?
The IUPAC name of methane;1-propan-2-yloxybutane (CID 158518476) is methane;1-propan-2-yloxybutane.
What is the SMILES notation for methane;1-propan-2-yloxybutane?
The canonical SMILES for methane;1-propan-2-yloxybutane is C.C.CCCCOC(C)C.
What is the InChIKey of methane;1-propan-2-yloxybutane?
The InChIKey is HLXPJILYBWLQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.2CH4/c1-4-5-6-8-7(2)3;;/h7H,4-6H2,1-3H3;2*1H4.
What are the key properties of methane;1-propan-2-yloxybutane?
methane;1-propan-2-yloxybutane has a molecular weight of 148.29 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-propan-2-yloxybutane is sourced from PubChem (CID 158518476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).