2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one

C16H30O2 — CID 157414716

IUPAC2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one
SMILESCC1CCC(=O)C1(C)C.CC1CCC(O)C1(C)C
InChIInChI=1S/C8H16O.C8H14O/c2*1-6-4-5-7(9)8(6,2)3/h6-7,9H,4-5H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyBORZLDDXCWLJHU-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.82
Rot. Bonds

About 2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one

2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one (PubChem CID 157414716) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one.

Molecular Properties

Compound Name2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one
PubChem CID157414716
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one
SMILESCC1CCC(=O)C1(C)C.CC1CCC(O)C1(C)C
InChIInChI=1S/C8H16O.C8H14O/c2*1-6-4-5-7(9)8(6,2)3/h6-7,9H,4-5H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyBORZLDDXCWLJHU-UHFFFAOYSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

3-hydroxy-2,2-dimethylcyclooctan-1-one
CID 86182604
3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one
CID 10997135
2,3-dimethyl-2-methylsulfanylcyclopentan-1-one
CID 12861275
trans-methyl (1R,2S)-1,2-dimethyl-5-oxocyclopentane-1-carboxylate
CID 11116480
2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one
CID 130028580
(3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one
CID 70539958
3-ethyl-2,2-dimethylcyclopentan-1-one
CID 89158762
methyl (1R)-2,2-dimethyl-3-oxocyclopentane-1-carboxylate
CID 14805634
cis-(3S,4R)-2-hydroxy-2,3,4-trimethylcyclohexan-1-one
CID 10920759
2,2-dimethyl-3-methylsulfanylcyclopentan-1-ol
CID 143890970
4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one
CID 71439092
(4R)-3,3,4-trimethyl-2-oxocyclohexane-1-carbaldehyde
CID 90686947

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one?
The IUPAC name of 2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one (CID 157414716) is 2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one.
What is the SMILES notation for 2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one?
The canonical SMILES for 2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one is CC1CCC(=O)C1(C)C.CC1CCC(O)C1(C)C.
What is the InChIKey of 2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one?
The InChIKey is BORZLDDXCWLJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C8H14O/c2*1-6-4-5-7(9)8(6,2)3/h6-7,9H,4-5H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one?
2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one has a molecular weight of 254.41 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one is sourced from PubChem (CID 157414716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).