adamantane;hexane

C16H30 — CID 157109132

IUPACadamantane;hexane
SMILESC1C2CC3CC1CC(C2)C3.CCCCCC
InChIInChI=1S/C10H16.C6H14/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-5-6-4-2/h7-10H,1-6H2;3-6H2,1-2H3
InChIKeyAGQIOAXWMRGXCR-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds3

About adamantane;hexane

adamantane;hexane (PubChem CID 157109132) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is adamantane;hexane.

Molecular Properties

Compound Nameadamantane;hexane
PubChem CID157109132
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Nameadamantane;hexane
SMILESC1C2CC3CC1CC(C2)C3.CCCCCC
InChIInChI=1S/C10H16.C6H14/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-5-6-4-2/h7-10H,1-6H2;3-6H2,1-2H3
InChIKeyAGQIOAXWMRGXCR-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
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

bicyclo[2.2.1]heptane;heptane
CID 161465006
magnesium;hexane;hydride
CID 173107039
2-octyladamantan-2-ol
CID 22603447
N-hexyladamantan-2-amine
CID 43406596
1-hexyladamantane
CID 585171
1,1-bis(2-adamantyl)hexylphosphane
CID 68580226
1-(2-adamantyl)hexan-1-ol
CID 115784330
magnesium;undecane;dichloride
CID 175829094
hexane;hypochlorous acid
CID 88775298
CID 161246447
CID 161246447
azane;hexane
CID 18428977
hexane;tungsten
CID 162105258

Frequently Asked Questions

What is the IUPAC name of adamantane;hexane?
The IUPAC name of adamantane;hexane (CID 157109132) is adamantane;hexane.
What is the SMILES notation for adamantane;hexane?
The canonical SMILES for adamantane;hexane is C1C2CC3CC1CC(C2)C3.CCCCCC.
What is the InChIKey of adamantane;hexane?
The InChIKey is AGQIOAXWMRGXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C6H14/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-5-6-4-2/h7-10H,1-6H2;3-6H2,1-2H3.
What are the key properties of adamantane;hexane?
adamantane;hexane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;hexane is sourced from PubChem (CID 157109132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).