2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol

C12H22O — CID 118389145

IUPAC2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol
SMILESCC(C)=C1CCC(C)C1C(C)(C)O
InChIInChI=1S/C12H22O/c1-8(2)10-7-6-9(3)11(10)12(4,5)13/h9,11,13H,6-7H2,1-5H3
InChIKeyXNHRSYMOTLFZTN-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds1

About 2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol

2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol (PubChem CID 118389145) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol
PubChem CID118389145
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol
SMILESCC(C)=C1CCC(C)C1C(C)(C)O
InChIInChI=1S/C12H22O/c1-8(2)10-7-6-9(3)11(10)12(4,5)13/h9,11,13H,6-7H2,1-5H3
InChIKeyXNHRSYMOTLFZTN-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
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-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol?
The IUPAC name of 2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol (CID 118389145) is 2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol is CC(C)=C1CCC(C)C1C(C)(C)O.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol?
The InChIKey is XNHRSYMOTLFZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(2)10-7-6-9(3)11(10)12(4,5)13/h9,11,13H,6-7H2,1-5H3.
What are the key properties of 2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol?
2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol is sourced from PubChem (CID 118389145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).