(1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol

C8H16O2 — CID 10486972

IUPAC(1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol
SMILESC[C@@H]1C[C@@](C)(O)C[C@@]1(C)O
InChIInChI=1S/C8H16O2/c1-6-4-7(2,9)5-8(6,3)10/h6,9-10H,4-5H2,1-3H3/t6-,7-,8-/m1/s1
InChIKeyBPKTXTODDQFMKN-BWZBUEFSSA-N
MW144.21 g/mol
LogP0.92
Rot. Bonds

About (1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol

(1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol (PubChem CID 10486972) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol.

Molecular Properties

Compound Name(1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol
PubChem CID10486972
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol
SMILESC[C@@H]1C[C@@](C)(O)C[C@@]1(C)O
InChIInChI=1S/C8H16O2/c1-6-4-7(2,9)5-8(6,3)10/h6,9-10H,4-5H2,1-3H3/t6-,7-,8-/m1/s1
InChIKeyBPKTXTODDQFMKN-BWZBUEFSSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol
CID 10583336
2-methylcyclopropane-1,1-diol
CID 68932442
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578
(3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol
CID 171582112
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1,5,5-trimethylcyclohexane-1,3-diol
CID 12684659
1,2,2,3-tetramethylcyclobutan-1-ol
CID 175148355
(3R)-1,3,4,5-tetramethylcyclohexan-1-ol
CID 70226236
1,3,3,4-tetramethylcyclohexan-1-ol
CID 14446238
trans-(1S,5S)-5-chloro-1,3,3-trimethylcyclohexan-1-ol
CID 101161058
3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol
CID 123190040

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol?
The IUPAC name of (1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol (CID 10486972) is (1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol.
What is the SMILES notation for (1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol?
The canonical SMILES for (1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol is C[C@@H]1C[C@@](C)(O)C[C@@]1(C)O.
What is the InChIKey of (1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol?
The InChIKey is BPKTXTODDQFMKN-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-4-7(2,9)5-8(6,3)10/h6,9-10H,4-5H2,1-3H3/t6-,7-,8-/m1/s1.
What are the key properties of (1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol?
(1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol is sourced from PubChem (CID 10486972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).