(1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol

C11H22O2 — CID 139584128

IUPAC(1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol
SMILESCC(C)[C@@]1(C)[C@H](O)C[C@@](C)(O)[C@@H]1C
InChIInChI=1S/C11H22O2/c1-7(2)11(5)8(3)10(4,13)6-9(11)12/h7-9,12-13H,6H2,1-5H3/t8-,9+,10+,11+/m0/s1
InChIKeyNXNYUFOWZRFZQV-LNFKQOIKSA-N
MW186.29 g/mol
LogP1.80
Rot. Bonds1

About (1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol

(1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol (PubChem CID 139584128) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol.

Molecular Properties

Compound Name(1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol
PubChem CID139584128
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol
SMILESCC(C)[C@@]1(C)[C@H](O)C[C@@](C)(O)[C@@H]1C
InChIInChI=1S/C11H22O2/c1-7(2)11(5)8(3)10(4,13)6-9(11)12/h7-9,12-13H,6H2,1-5H3/t8-,9+,10+,11+/m0/s1
InChIKeyNXNYUFOWZRFZQV-LNFKQOIKSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol?
The IUPAC name of (1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol (CID 139584128) is (1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol.
What is the SMILES notation for (1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol?
The canonical SMILES for (1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol is CC(C)[C@@]1(C)[C@H](O)C[C@@](C)(O)[C@@H]1C.
What is the InChIKey of (1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol?
The InChIKey is NXNYUFOWZRFZQV-LNFKQOIKSA-N. The full InChI is InChI=1S/C11H22O2/c1-7(2)11(5)8(3)10(4,13)6-9(11)12/h7-9,12-13H,6H2,1-5H3/t8-,9+,10+,11+/m0/s1.
What are the key properties of (1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol?
(1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol has a molecular weight of 186.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R,5R)-1,4,5-trimethyl-4-propan-2-ylcyclopentane-1,3-diol is sourced from PubChem (CID 139584128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).