CID 59806480

C8H16 — CID 59806480

IUPAC—
SMILES[CH]C(C)CCC(C)C
InChIInChI=1S/C8H16/c1-7(2)5-6-8(3)4/h1,7-8H,5-6H2,2-4H3
InChIKeyZOQKBOYQLUAVMZ-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.77
Rot. Bonds3

About CID 59806480

CID 59806480 (PubChem CID 59806480) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol.

Molecular Properties

Compound NameCID 59806480
PubChem CID59806480
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name—
SMILES[CH]C(C)CCC(C)C
InChIInChI=1S/C8H16/c1-7(2)5-6-8(3)4/h1,7-8H,5-6H2,2-4H3
InChIKeyZOQKBOYQLUAVMZ-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
CID 158252913
(Z)-but-2-ene;2,5-dimethylhexane
CID 144935211
5-methylhexane-2-thiol
CID 43124113
4-methylpentane-1,1-dithiol
CID 56991660
2,5-dimethylhexane;(E)-2,5-dimethylhex-3-ene
CID 160891186
1-deuterio-2,5-dimethylhexane
CID 175772271
zinc bis(2-methylpentane)
CID 11481754
2-bromo-5-methylhexane
CID 15716192
2,8-dimethylnonan-5-amine
CID 15030000
ethane;5-methylhexan-2-ol
CID 144624886

Frequently Asked Questions

What is the IUPAC name of CID 59806480?
The IUPAC name of CID 59806480 (CID 59806480) is not available.
What is the SMILES notation for CID 59806480?
The canonical SMILES for CID 59806480 is [CH]C(C)CCC(C)C.
What is the InChIKey of CID 59806480?
The InChIKey is ZOQKBOYQLUAVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h1,7-8H,5-6H2,2-4H3.
What are the key properties of CID 59806480?
CID 59806480 has a molecular weight of 112.22 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59806480 is sourced from PubChem (CID 59806480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).