ethanol;heptane;methane

C10H26O — CID 160925089

IUPACethanol;heptane;methane
SMILESC.CCCCCCC.CCO
InChIInChI=1S/C7H16.C2H6O.CH4/c1-3-5-7-6-4-2;1-2-3;/h3-7H2,1-2H3;3H,2H2,1H3;1H4
InChIKeySSNNWRLGAZVIOY-UHFFFAOYSA-N
MW162.32 g/mol
LogP3.61
Rot. Bonds4

About ethanol;heptane;methane

ethanol;heptane;methane (PubChem CID 160925089) has the molecular formula C10H26O and a molecular weight of 162.32 g/mol. Its IUPAC name is ethanol;heptane;methane.

Molecular Properties

Compound Nameethanol;heptane;methane
PubChem CID160925089
Molecular FormulaC10H26O
Molecular Weight162.32 g/mol
Exact Mass162.20
IUPAC Nameethanol;heptane;methane
SMILESC.CCCCCCC.CCO
InChIInChI=1S/C7H16.C2H6O.CH4/c1-3-5-7-6-4-2;1-2-3;/h3-7H2,1-2H3;3H,2H2,1H3;1H4
InChIKeySSNNWRLGAZVIOY-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethanol;bis(heptane);bis(hexane)
CID 173110983
ethanol;hexadecane
CID 21185421
methanediol;nonane
CID 159588378
butane;ethanol;hexane
CID 174644566
dodecane;methane
CID 22277750
bis(hexadecane);methane
CID 161318895
bis(hexacosane);methane
CID 157430725
ethanol;heptadecan-1-ol
CID 160681961
methane;tetratetracontan-1-ol
CID 87292348
decane;propan-1-ol
CID 157421705
ethane;methane;tridecane
CID 159295261
methanol;undecane
CID 161373911

Frequently Asked Questions

What is the IUPAC name of ethanol;heptane;methane?
The IUPAC name of ethanol;heptane;methane (CID 160925089) is ethanol;heptane;methane.
What is the SMILES notation for ethanol;heptane;methane?
The canonical SMILES for ethanol;heptane;methane is C.CCCCCCC.CCO.
What is the InChIKey of ethanol;heptane;methane?
The InChIKey is SSNNWRLGAZVIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C2H6O.CH4/c1-3-5-7-6-4-2;1-2-3;/h3-7H2,1-2H3;3H,2H2,1H3;1H4.
What are the key properties of ethanol;heptane;methane?
ethanol;heptane;methane has a molecular weight of 162.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;heptane;methane is sourced from PubChem (CID 160925089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).