molecular hydrogen;pentane

C5H16 — CID 173460731

IUPACmolecular hydrogen;pentane
SMILESCCCCC.[H][H].[H][H]
InChIInChI=1S/C5H12.2H2/c1-3-5-4-2;;/h3-5H2,1-2H3;2*1H
InChIKeyLXYPVDDPFOEIPD-UHFFFAOYSA-N
MW76.18 g/mol
LogP2.69
Rot. Bonds2

About molecular hydrogen;pentane

molecular hydrogen;pentane (PubChem CID 173460731) has the molecular formula C5H16 and a molecular weight of 76.18 g/mol. Its IUPAC name is molecular hydrogen;pentane.

Molecular Properties

Compound Namemolecular hydrogen;pentane
PubChem CID173460731
Molecular FormulaC5H16
Molecular Weight76.18 g/mol
Exact Mass76.13
IUPAC Namemolecular hydrogen;pentane
SMILESCCCCC.[H][H].[H][H]
InChIInChI=1S/C5H12.2H2/c1-3-5-4-2;;/h3-5H2,1-2H3;2*1H
InChIKeyLXYPVDDPFOEIPD-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.18
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;hexane;molecular hydrogen
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hexadecakis(pentane);dihydrate
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alumane;pentane
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CID 159411255
CID 159411255
pentane;propane
CID 91422342
zinc pentane
CID 19065630
pentane;rhodium
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pentane;stannane
CID 173279416
CID 157215984
CID 157215984
ethene;pentane
CID 54525676
methane;pentane;propane
CID 169428492
pentane;zirconium(2+);dichloride
CID 174388697

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;pentane?
The IUPAC name of molecular hydrogen;pentane (CID 173460731) is molecular hydrogen;pentane.
What is the SMILES notation for molecular hydrogen;pentane?
The canonical SMILES for molecular hydrogen;pentane is CCCCC.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;pentane?
The InChIKey is LXYPVDDPFOEIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.2H2/c1-3-5-4-2;;/h3-5H2,1-2H3;2*1H.
What are the key properties of molecular hydrogen;pentane?
molecular hydrogen;pentane has a molecular weight of 76.18 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;pentane is sourced from PubChem (CID 173460731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).