trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol

C7H12O2 — CID 126590695

IUPACtrans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](CO)CC[C@@H]1O
InChIInChI=1S/C7H12O2/c1-5-6(4-8)2-3-7(5)9/h6-9H,1-4H2/t6-,7-/m0/s1
InChIKeyMKZDQTNXKABRCU-BQBZGAKWSA-N
MW128.17 g/mol
LogP0.31
Rot. Bonds1

About trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol

trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol (PubChem CID 126590695) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol
PubChem CID126590695
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Nametrans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](CO)CC[C@@H]1O
InChIInChI=1S/C7H12O2/c1-5-6(4-8)2-3-7(5)9/h6-9H,1-4H2/t6-,7-/m0/s1
InChIKeyMKZDQTNXKABRCU-BQBZGAKWSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol?
The IUPAC name of trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol (CID 126590695) is trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol.
What is the SMILES notation for trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol?
The canonical SMILES for trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol is C=C1[C@H](CO)CC[C@@H]1O.
What is the InChIKey of trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol?
The InChIKey is MKZDQTNXKABRCU-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-6(4-8)2-3-7(5)9/h6-9H,1-4H2/t6-,7-/m0/s1.
What are the key properties of trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol?
trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol is sourced from PubChem (CID 126590695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).