trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol

C10H18O2 — CID 10844877

IUPACtrans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol
SMILESC=CCC[C@@]1(CO)CCC[C@@H]1O
InChIInChI=1S/C10H18O2/c1-2-3-6-10(8-11)7-4-5-9(10)12/h2,9,11-12H,1,3-8H2/t9-,10-/m0/s1
InChIKeyXJVVIQJSOOHXTG-UWVGGRQHSA-N
MW170.25 g/mol
LogP1.48
Rot. Bonds4

About trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol

trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 10844877) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID10844877
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nametrans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol
SMILESC=CCC[C@@]1(CO)CCC[C@@H]1O
InChIInChI=1S/C10H18O2/c1-2-3-6-10(8-11)7-4-5-9(10)12/h2,9,11-12H,1,3-8H2/t9-,10-/m0/s1
InChIKeyXJVVIQJSOOHXTG-UWVGGRQHSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Hydroxymethyl)-2-prop-2-enylcyclohexan-1-ol
CID 300029
(5S,9S)-4-prop-2-enylspiro[4.4]nonane-4,9-diol
CID 12129533
2-Allyl-2-methylcyclopentane-1,3-diol
CID 130122188
(1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol
CID 139125528
trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cycloheptan-1-ol
CID 10512177
(5R,9R)-4-methylidenespiro[4.4]nonan-9-ol
CID 102353152
2-(But-3-en-1-yl)cyclopentan-1-ol
CID 12702725
trans-(1R,2R)-2-but-3-enylcyclopentan-1-ol
CID 12702726
2-(Pent-4-EN-1-YL)cyclopentan-1-OL
CID 12963384
trans-(1S,2R)-2-methyl-2-prop-2-enylcyclopentan-1-ol
CID 14617442
cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentan-1-ol
CID 14617443
2-Ethenyl-2-prop-2-enylcyclopentan-1-ol
CID 20501764

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol (CID 10844877) is trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol is C=CCC[C@@]1(CO)CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is XJVVIQJSOOHXTG-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-6-10(8-11)7-4-5-9(10)12/h2,9,11-12H,1,3-8H2/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol?
trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 10844877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).