trans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol

C9H16O2 — CID 102259371

IUPACtrans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
SMILESC=C[C@@]1(CO)CCC[C@]1(C)O
InChIInChI=1S/C9H16O2/c1-3-9(7-10)6-4-5-8(9,2)11/h3,10-11H,1,4-7H2,2H3/t8-,9-/m0/s1
InChIKeyTVBGDWZCFYZYPG-IUCAKERBSA-N
MW156.22 g/mol
LogP1.09
Rot. Bonds2

About trans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol

trans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol (PubChem CID 102259371) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is trans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
PubChem CID102259371
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Nametrans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
SMILESC=C[C@@]1(CO)CCC[C@]1(C)O
InChIInChI=1S/C9H16O2/c1-3-9(7-10)6-4-5-8(9,2)11/h3,10-11H,1,4-7H2,2H3/t8-,9-/m0/s1
InChIKeyTVBGDWZCFYZYPG-IUCAKERBSA-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

(5S,9S)-4-prop-2-enylspiro[4.4]nonane-4,9-diol
CID 12129533
(1R,2S,5S)-2-(2-hydroxypent-4-enyl)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentan-1-ol
CID 49871418
2-(Hydroxymethyl)-2-prop-2-enylcyclopentan-1-ol
CID 69999075
(1-Ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol
CID 90863588
2-Ethenyl-2-ethylcyclopentane-1,3-diol
CID 170563604
Cyclopentanol, 3-ethenyl-2,2,3-trimethyl-
CID 10678452
(4S,5S,10S)-10-(hydroxymethyl)-4-methylspiro[4.5]dec-8-en-4-ol
CID 11127195
[(1R,2R)-2-ethenyl-1,2-dimethylcyclopentyl]methanol
CID 15711044
(3aS,7aR)-7a-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-inden-3a-ol
CID 16096684
[(1S,3S)-3-ethenyl-2,2,3-trimethylcyclopentyl]methanol
CID 21587210
1-But-3-enyl-2,2-dimethylcyclopentane-1,3-diol
CID 24749874
cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol
CID 71726213

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol (CID 102259371) is trans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol is C=C[C@@]1(CO)CCC[C@]1(C)O.
What is the InChIKey of trans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol?
The InChIKey is TVBGDWZCFYZYPG-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-9(7-10)6-4-5-8(9,2)11/h3,10-11H,1,4-7H2,2H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol?
trans-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-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-(1S,2R)-2-ethenyl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol is sourced from PubChem (CID 102259371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).