trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol

C8H16O — CID 59118624

IUPACtrans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C8H16O/c1-6(2)7-4-3-5-8(7)9/h6-9H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyUNGWJJDVLCVVGB-JGVFFNPUSA-N
MW128.21 g/mol
LogP1.80
Rot. Bonds1

About trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol

trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol (PubChem CID 59118624) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol
PubChem CID59118624
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Nametrans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C8H16O/c1-6(2)7-4-3-5-8(7)9/h6-9H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyUNGWJJDVLCVVGB-JGVFFNPUSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol (CID 59118624) is trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol is CC(C)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol?
The InChIKey is UNGWJJDVLCVVGB-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16O/c1-6(2)7-4-3-5-8(7)9/h6-9H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol?
trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 59118624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).