2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol

C12H22O — CID 67402911

IUPAC2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol
SMILESC=C(C)C(O)C1CCC(C)C1(C)C
InChIInChI=1S/C12H22O/c1-8(2)11(13)10-7-6-9(3)12(10,4)5/h9-11,13H,1,6-7H2,2-5H3
InChIKeyJMUBOBUZNRGCTJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.00
Rot. Bonds2

About 2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol

2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol (PubChem CID 67402911) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol
PubChem CID67402911
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol
SMILESC=C(C)C(O)C1CCC(C)C1(C)C
InChIInChI=1S/C12H22O/c1-8(2)11(13)10-7-6-9(3)12(10,4)5/h9-11,13H,1,6-7H2,2-5H3
InChIKeyJMUBOBUZNRGCTJ-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.00
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-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol?
The IUPAC name of 2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol (CID 67402911) is 2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol?
The canonical SMILES for 2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol is C=C(C)C(O)C1CCC(C)C1(C)C.
What is the InChIKey of 2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol?
The InChIKey is JMUBOBUZNRGCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(2)11(13)10-7-6-9(3)12(10,4)5/h9-11,13H,1,6-7H2,2-5H3.
What are the key properties of 2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol?
2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol is sourced from PubChem (CID 67402911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).