2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol

C12H20O — CID 14115081

IUPAC2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol
SMILESC=CC1CCC(C=C)C1(O)C(C)C
InChIInChI=1S/C12H20O/c1-5-10-7-8-11(6-2)12(10,13)9(3)4/h5-6,9-11,13H,1-2,7-8H2,3-4H3
InChIKeyNXOGCOJNGDBANH-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.77
Rot. Bonds3

About 2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol

2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol (PubChem CID 14115081) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol
PubChem CID14115081
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol
SMILESC=CC1CCC(C=C)C1(O)C(C)C
InChIInChI=1S/C12H20O/c1-5-10-7-8-11(6-2)12(10,13)9(3)4/h5-6,9-11,13H,1-2,7-8H2,3-4H3
InChIKeyNXOGCOJNGDBANH-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol?
The IUPAC name of 2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol (CID 14115081) is 2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for 2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for 2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol is C=CC1CCC(C=C)C1(O)C(C)C.
What is the InChIKey of 2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol?
The InChIKey is NXOGCOJNGDBANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-5-10-7-8-11(6-2)12(10,13)9(3)4/h5-6,9-11,13H,1-2,7-8H2,3-4H3.
What are the key properties of 2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol?
2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenyl)-1-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 14115081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).