hexane;pentane;propane

C14H34 — CID 165146348

IUPAChexane;pentane;propane
SMILESCCC.CCCCC.CCCCCC
InChIInChI=1S/C6H14.C5H12.C3H8/c1-3-5-6-4-2;1-3-5-4-2;1-3-2/h3-6H2,1-2H3;3-5H2,1-2H3;3H2,1-2H3
InChIKeyPYRJZICLORXLNK-UHFFFAOYSA-N
MW202.43 g/mol
LogP6.20
Rot. Bonds5

About hexane;pentane;propane

hexane;pentane;propane (PubChem CID 165146348) has the molecular formula C14H34 and a molecular weight of 202.43 g/mol. Its IUPAC name is hexane;pentane;propane.

Molecular Properties

Compound Namehexane;pentane;propane
PubChem CID165146348
Molecular FormulaC14H34
Molecular Weight202.43 g/mol
Exact Mass202.27
IUPAC Namehexane;pentane;propane
SMILESCCC.CCCCC.CCCCCC
InChIInChI=1S/C6H14.C5H12.C3H8/c1-3-5-6-4-2;1-3-5-4-2;1-3-2/h3-6H2,1-2H3;3-5H2,1-2H3;3H2,1-2H3
InChIKeyPYRJZICLORXLNK-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.43
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentane;propane
CID 91422342
butane;hexane;octane;pentane;propane
CID 163800652
ethane;bis(hexane);propane
CID 173306816
methane;pentane;propane
CID 159978864
ethane;pentane;propane
CID 154691570
heptane;hexane;octane;pentane
CID 159214735
bis(hexane);methane;propane
CID 158581590
tetrakis(nonane);bis(pentane)
CID 158390230
butane;pentane;propane
CID 153402705
methane;pentane;propane
CID 169428492
octane;pentane
CID 19101448
methane;pentane;propane
CID 143342797

Frequently Asked Questions

What is the IUPAC name of hexane;pentane;propane?
The IUPAC name of hexane;pentane;propane (CID 165146348) is hexane;pentane;propane.
What is the SMILES notation for hexane;pentane;propane?
The canonical SMILES for hexane;pentane;propane is CCC.CCCCC.CCCCCC.
What is the InChIKey of hexane;pentane;propane?
The InChIKey is PYRJZICLORXLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H12.C3H8/c1-3-5-6-4-2;1-3-5-4-2;1-3-2/h3-6H2,1-2H3;3-5H2,1-2H3;3H2,1-2H3.
What are the key properties of hexane;pentane;propane?
hexane;pentane;propane has a molecular weight of 202.43 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;pentane;propane is sourced from PubChem (CID 165146348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).