2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol

C13H26O — CID 130519516

IUPAC2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol
SMILESCC(C)CC(C)C1(O)CCCC1(C)C
InChIInChI=1S/C13H26O/c1-10(2)9-11(3)13(14)8-6-7-12(13,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyFFYZTJPAYAAJHH-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds3

About 2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol

2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol (PubChem CID 130519516) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol
PubChem CID130519516
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol
SMILESCC(C)CC(C)C1(O)CCCC1(C)C
InChIInChI=1S/C13H26O/c1-10(2)9-11(3)13(14)8-6-7-12(13,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyFFYZTJPAYAAJHH-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol (CID 130519516) is 2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol is CC(C)CC(C)C1(O)CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol?
The InChIKey is FFYZTJPAYAAJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-10(2)9-11(3)13(14)8-6-7-12(13,4)5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol?
2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 130519516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).