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

C15H26O — CID 163186774

IUPAC(1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol
SMILESCC1(C)CCC[C@]1(C)[C@@]12CC[C@@](C)(O)[C@@H]1C2
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+/m0/s1
InChIKeyKETNCTJQTHDBOO-PMOUVXMZSA-N
MW222.37 g/mol
LogP3.75
Rot. Bonds1

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

(1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol (PubChem CID 163186774) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol
PubChem CID163186774
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol
SMILESCC1(C)CCC[C@]1(C)[C@@]12CC[C@@](C)(O)[C@@H]1C2
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+/m0/s1
InChIKeyKETNCTJQTHDBOO-PMOUVXMZSA-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 (1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol (CID 163186774) is (1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol is CC1(C)CCC[C@]1(C)[C@@]12CC[C@@](C)(O)[C@@H]1C2.
What is the InChIKey of (1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol?
The InChIKey is KETNCTJQTHDBOO-PMOUVXMZSA-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+/m0/s1.
What are the key properties of (1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol?
(1R,2R,5R)-2-methyl-5-[(1S)-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 (1R,2R,5R)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 163186774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).