(1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol

C10H19ClO2 — CID 89362830

IUPAC(1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol
SMILESCCCCOC[C@@H]1CC[C@@H](Cl)[C@@H]1O
InChIInChI=1S/C10H19ClO2/c1-2-3-6-13-7-8-4-5-9(11)10(8)12/h8-10,12H,2-7H2,1H3/t8-,9+,10+/m0/s1
InChIKeySVHKUTHEAJNZAA-IVZWLZJFSA-N
MW206.71 g/mol
LogP2.18
Rot. Bonds5

About (1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol

(1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol (PubChem CID 89362830) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is (1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol
PubChem CID89362830
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name(1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol
SMILESCCCCOC[C@@H]1CC[C@@H](Cl)[C@@H]1O
InChIInChI=1S/C10H19ClO2/c1-2-3-6-13-7-8-4-5-9(11)10(8)12/h8-10,12H,2-7H2,1H3/t8-,9+,10+/m0/s1
InChIKeySVHKUTHEAJNZAA-IVZWLZJFSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol?
The IUPAC name of (1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol (CID 89362830) is (1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol is CCCCOC[C@@H]1CC[C@@H](Cl)[C@@H]1O.
What is the InChIKey of (1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol?
The InChIKey is SVHKUTHEAJNZAA-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-2-3-6-13-7-8-4-5-9(11)10(8)12/h8-10,12H,2-7H2,1H3/t8-,9+,10+/m0/s1.
What are the key properties of (1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol?
(1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol has a molecular weight of 206.71 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-(butoxymethyl)-5-chlorocyclopentan-1-ol is sourced from PubChem (CID 89362830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).