CID 101008751

C6H13O — CID 101008751

IUPAC—
SMILESCCCC(C)(C)[O]
InChIInChI=1S/C6H13O/c1-4-5-6(2,3)7/h4-5H2,1-3H3
InChIKeyURGOKZULJBSCOW-UHFFFAOYSA-N
MW101.17 g/mol
LogP2.00
Rot. Bonds2

About CID 101008751

CID 101008751 (PubChem CID 101008751) has the molecular formula C6H13O and a molecular weight of 101.17 g/mol.

Molecular Properties

Compound NameCID 101008751
PubChem CID101008751
Molecular FormulaC6H13O
Molecular Weight101.17 g/mol
Exact Mass101.10
IUPAC Name—
SMILESCCCC(C)(C)[O]
InChIInChI=1S/C6H13O/c1-4-5-6(2,3)7/h4-5H2,1-3H3
InChIKeyURGOKZULJBSCOW-UHFFFAOYSA-N
XLogP2.00
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2,2-dimethylpentane);methane
CID 159859974
2-methyl-2-propylpentanal
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2-methyl-2-propylpropanedial
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3,3-dimethylhexane
CID 11233
2,2-dimethylpentane;ethane;propane
CID 156751345
butane;propane-2,2-diol
CID 142587058
2-methyl-2-methylsulfonylpentane
CID 58153427
2-methyl-2-phosphanylpentanal
CID 145198471
tetrakis(2-methylpentan-2-olate);titanium(4+)
CID 22496813
sodium 2-methylpentan-2-olate
CID 23694755
2-methylpentan-2-ylphosphane;hydrochloride
CID 139434138
2-methyl-2-(2-methylpentan-2-ylperoxy)pentane
CID 10910592

Frequently Asked Questions

What is the IUPAC name of CID 101008751?
The IUPAC name of CID 101008751 (CID 101008751) is not available.
What is the SMILES notation for CID 101008751?
The canonical SMILES for CID 101008751 is CCCC(C)(C)[O].
What is the InChIKey of CID 101008751?
The InChIKey is URGOKZULJBSCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O/c1-4-5-6(2,3)7/h4-5H2,1-3H3.
What are the key properties of CID 101008751?
CID 101008751 has a molecular weight of 101.17 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101008751 is sourced from PubChem (CID 101008751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).