methane;1-propoxybutane

C9H24O — CID 162202436

IUPACmethane;1-propoxybutane
SMILESC.C.CCCCOCCC
InChIInChI=1S/C7H16O.2CH4/c1-3-5-7-8-6-4-2;;/h3-7H2,1-2H3;2*1H4
InChIKeyZRTMYULJZWCRNL-UHFFFAOYSA-N
MW148.29 g/mol
LogP3.49
Rot. Bonds5

About methane;1-propoxybutane

methane;1-propoxybutane (PubChem CID 162202436) has the molecular formula C9H24O and a molecular weight of 148.29 g/mol. Its IUPAC name is methane;1-propoxybutane.

Molecular Properties

Compound Namemethane;1-propoxybutane
PubChem CID162202436
Molecular FormulaC9H24O
Molecular Weight148.29 g/mol
Exact Mass148.18
IUPAC Namemethane;1-propoxybutane
SMILESC.C.CCCCOCCC
InChIInChI=1S/C7H16O.2CH4/c1-3-5-7-8-6-4-2;;/h3-7H2,1-2H3;2*1H4
InChIKeyZRTMYULJZWCRNL-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.29
LogP ≤ 53.49
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

azane;1-propoxybutane
CID 87292575
ethane;1-(2-propoxyethoxy)butane
CID 164535746
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
pentane;1-propoxypentane
CID 174500651
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
azane;1-propoxyoctane
CID 88631627
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
1-butoxypentane;niobium
CID 175363169
methane;1-pentoxypentane;hydrate
CID 175598954

Frequently Asked Questions

What is the IUPAC name of methane;1-propoxybutane?
The IUPAC name of methane;1-propoxybutane (CID 162202436) is methane;1-propoxybutane.
What is the SMILES notation for methane;1-propoxybutane?
The canonical SMILES for methane;1-propoxybutane is C.C.CCCCOCCC.
What is the InChIKey of methane;1-propoxybutane?
The InChIKey is ZRTMYULJZWCRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.2CH4/c1-3-5-7-8-6-4-2;;/h3-7H2,1-2H3;2*1H4.
What are the key properties of methane;1-propoxybutane?
methane;1-propoxybutane has a molecular weight of 148.29 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-propoxybutane is sourced from PubChem (CID 162202436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).