1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol

C15H28O2 — CID 170090403

IUPAC1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol
SMILESC=CC1(OC(O)C(C)(C)CC)CCCC1(C)C
InChIInChI=1S/C15H28O2/c1-7-13(3,4)12(16)17-15(8-2)11-9-10-14(15,5)6/h8,12,16H,2,7,9-11H2,1,3-6H3
InChIKeyUJCBXHYHKSOUCT-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.89
Rot. Bonds5

About 1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol

1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol (PubChem CID 170090403) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol
PubChem CID170090403
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol
SMILESC=CC1(OC(O)C(C)(C)CC)CCCC1(C)C
InChIInChI=1S/C15H28O2/c1-7-13(3,4)12(16)17-15(8-2)11-9-10-14(15,5)6/h8,12,16H,2,7,9-11H2,1,3-6H3
InChIKeyUJCBXHYHKSOUCT-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol?
The IUPAC name of 1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol (CID 170090403) is 1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol?
The canonical SMILES for 1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol is C=CC1(OC(O)C(C)(C)CC)CCCC1(C)C.
What is the InChIKey of 1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol?
The InChIKey is UJCBXHYHKSOUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-7-13(3,4)12(16)17-15(8-2)11-9-10-14(15,5)6/h8,12,16H,2,7,9-11H2,1,3-6H3.
What are the key properties of 1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol?
1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenyl-2,2-dimethylcyclopentyl)oxy-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 170090403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).