benzene;methane;2-methoxybutane;pentan-1-ol

C17H34O2 — CID 143401989

IUPACbenzene;methane;2-methoxybutane;pentan-1-ol
SMILESC.CCC(C)OC.CCCCCO.c1ccccc1
InChIInChI=1S/C6H6.2C5H12O.CH4/c1-2-4-6-5-3-1;1-4-5(2)6-3;1-2-3-4-5-6;/h1-6H;5H,4H2,1-3H3;6H,2-5H2,1H3;1H4
InChIKeyIBODNYTXVAEQJN-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.92
Rot. Bonds5

About benzene;methane;2-methoxybutane;pentan-1-ol

benzene;methane;2-methoxybutane;pentan-1-ol (PubChem CID 143401989) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is benzene;methane;2-methoxybutane;pentan-1-ol.

Molecular Properties

Compound Namebenzene;methane;2-methoxybutane;pentan-1-ol
PubChem CID143401989
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Namebenzene;methane;2-methoxybutane;pentan-1-ol
SMILESC.CCC(C)OC.CCCCCO.c1ccccc1
InChIInChI=1S/C6H6.2C5H12O.CH4/c1-2-4-6-5-3-1;1-4-5(2)6-3;1-2-3-4-5-6;/h1-6H;5H,4H2,1-3H3;6H,2-5H2,1H3;1H4
InChIKeyIBODNYTXVAEQJN-UHFFFAOYSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;2-methoxybutane
CID 162124465
hexan-1-ol;2-methylpropane
CID 159802705
methane;tetratetracontan-1-ol
CID 87292348
12-methoxyoctadecan-1-ol
CID 18347175
acetaldehyde;8-[3-hydroxypropyl(octyl)amino]octanal;2-methoxybutane
CID 168924738
undecan-1-ol
CID 122455065
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
pentan-1-ol;yttrium
CID 154312100
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596

Frequently Asked Questions

What is the IUPAC name of benzene;methane;2-methoxybutane;pentan-1-ol?
The IUPAC name of benzene;methane;2-methoxybutane;pentan-1-ol (CID 143401989) is benzene;methane;2-methoxybutane;pentan-1-ol.
What is the SMILES notation for benzene;methane;2-methoxybutane;pentan-1-ol?
The canonical SMILES for benzene;methane;2-methoxybutane;pentan-1-ol is C.CCC(C)OC.CCCCCO.c1ccccc1.
What is the InChIKey of benzene;methane;2-methoxybutane;pentan-1-ol?
The InChIKey is IBODNYTXVAEQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2C5H12O.CH4/c1-2-4-6-5-3-1;1-4-5(2)6-3;1-2-3-4-5-6;/h1-6H;5H,4H2,1-3H3;6H,2-5H2,1H3;1H4.
What are the key properties of benzene;methane;2-methoxybutane;pentan-1-ol?
benzene;methane;2-methoxybutane;pentan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methane;2-methoxybutane;pentan-1-ol is sourced from PubChem (CID 143401989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).