4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol

C13H24O2 — CID 139340554

IUPAC4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol
SMILESCC(O)C(C)CCC1CC=C(O)C1(C)C
InChIInChI=1S/C13H24O2/c1-9(10(2)14)5-6-11-7-8-12(15)13(11,3)4/h8-11,14-15H,5-7H2,1-4H3
InChIKeyBJBVTXVOVBVRKZ-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.27
Rot. Bonds4

About 4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol

4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol (PubChem CID 139340554) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol
PubChem CID139340554
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol
SMILESCC(O)C(C)CCC1CC=C(O)C1(C)C
InChIInChI=1S/C13H24O2/c1-9(10(2)14)5-6-11-7-8-12(15)13(11,3)4/h8-11,14-15H,5-7H2,1-4H3
InChIKeyBJBVTXVOVBVRKZ-UHFFFAOYSA-N
XLogP3.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol?
The IUPAC name of 4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol (CID 139340554) is 4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol.
What is the SMILES notation for 4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol?
The canonical SMILES for 4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol is CC(O)C(C)CCC1CC=C(O)C1(C)C.
What is the InChIKey of 4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol?
The InChIKey is BJBVTXVOVBVRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-9(10(2)14)5-6-11-7-8-12(15)13(11,3)4/h8-11,14-15H,5-7H2,1-4H3.
What are the key properties of 4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol?
4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol has a molecular weight of 212.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylpentyl)-5,5-dimethylcyclopenten-1-ol is sourced from PubChem (CID 139340554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).