1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol

C12H22O2 — CID 15442004

IUPAC1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol
SMILESC=C(C(O)C(C)(C)C)C1(O)CCCC1
InChIInChI=1S/C12H22O2/c1-9(10(13)11(2,3)4)12(14)7-5-6-8-12/h10,13-14H,1,5-8H2,2-4H3
InChIKeyVUFPPRUJAVYITL-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.25
Rot. Bonds2

About 1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol

1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol (PubChem CID 15442004) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol
PubChem CID15442004
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol
SMILESC=C(C(O)C(C)(C)C)C1(O)CCCC1
InChIInChI=1S/C12H22O2/c1-9(10(13)11(2,3)4)12(14)7-5-6-8-12/h10,13-14H,1,5-8H2,2-4H3
InChIKeyVUFPPRUJAVYITL-UHFFFAOYSA-N
XLogP2.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol?
The IUPAC name of 1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol (CID 15442004) is 1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol is C=C(C(O)C(C)(C)C)C1(O)CCCC1.
What is the InChIKey of 1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol?
The InChIKey is VUFPPRUJAVYITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(10(13)11(2,3)4)12(14)7-5-6-8-12/h10,13-14H,1,5-8H2,2-4H3.
What are the key properties of 1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol?
1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 15442004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).