2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol

C15H26O — CID 14527034

IUPAC2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol
SMILESCC1(O)CCC2([C@]3(C)CCCC3(C)C)CC12
InChIInChI=1S/C15H26O/c1-12(2)6-5-7-14(12,4)15-9-8-13(3,16)11(15)10-15/h11,16H,5-10H2,1-4H3/t11?,13?,14-,15?/m1/s1
InChIKeyKETNCTJQTHDBOO-LSPKCOCLSA-N
MW222.37 g/mol
LogP3.75
Rot. Bonds1

About 2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol

2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol (PubChem CID 14527034) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol
PubChem CID14527034
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol
SMILESCC1(O)CCC2([C@]3(C)CCCC3(C)C)CC12
InChIInChI=1S/C15H26O/c1-12(2)6-5-7-14(12,4)15-9-8-13(3,16)11(15)10-15/h11,16H,5-10H2,1-4H3/t11?,13?,14-,15?/m1/s1
InChIKeyKETNCTJQTHDBOO-LSPKCOCLSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol?
The IUPAC name of 2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol (CID 14527034) is 2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for 2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for 2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol is CC1(O)CCC2([C@]3(C)CCCC3(C)C)CC12.
What is the InChIKey of 2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol?
The InChIKey is KETNCTJQTHDBOO-LSPKCOCLSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)6-5-7-14(12,4)15-9-8-13(3,16)11(15)10-15/h11,16H,5-10H2,1-4H3/t11?,13?,14-,15?/m1/s1.
What are the key properties of 2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol?
2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 14527034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).