trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol

C9H16O2 — CID 131856211

IUPACtrans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)[C@H]1CCC[C@]1(O)CO
InChIInChI=1S/C9H16O2/c1-7(2)8-4-3-5-9(8,11)6-10/h8,10-11H,1,3-6H2,2H3/t8-,9+/m1/s1
InChIKeyCEDKWTFVQIWDEY-BDAKNGLRSA-N
MW156.22 g/mol
LogP1.09
Rot. Bonds2

About trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol

trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol (PubChem CID 131856211) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol
PubChem CID131856211
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Nametrans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)[C@H]1CCC[C@]1(O)CO
InChIInChI=1S/C9H16O2/c1-7(2)8-4-3-5-9(8,11)6-10/h8,10-11H,1,3-6H2,2H3/t8-,9+/m1/s1
InChIKeyCEDKWTFVQIWDEY-BDAKNGLRSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol
CID 171582081
(1S,2S,3R)-1-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 100932205
1-methyl-2-prop-1-en-2-ylcyclopentane-1-sulfonic acid
CID 174492180
propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 85247477
(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one
CID 138975442
cis-(1R,3R)-1-methyl-3-prop-1-en-2-ylcyclohexan-1-ol
CID 162915511
1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 14263532
2-(hydroxymethyl)-3-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
CID 174752690
2-methyl-1-(3-methylbutyl)cyclopentan-1-ol
CID 65154140
2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one
CID 89031619
cis-(1R,2R)-1-(cyclohexen-1-yl)-2-prop-1-en-2-ylcyclohexan-1-ol
CID 101031350

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol (CID 131856211) is trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol is C=C(C)[C@H]1CCC[C@]1(O)CO.
What is the InChIKey of trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol?
The InChIKey is CEDKWTFVQIWDEY-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)8-4-3-5-9(8,11)6-10/h8,10-11H,1,3-6H2,2H3/t8-,9+/m1/s1.
What are the key properties of trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol?
trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol is sourced from PubChem (CID 131856211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).