(1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol

C11H18O3 — CID 159315257

IUPAC(1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol
SMILESC#C[C@@]1(CC)C[C@@H](O)C[C@H]1OCOC
InChIInChI=1S/C11H18O3/c1-4-11(5-2)7-9(12)6-10(11)14-8-13-3/h1,9-10,12H,5-8H2,2-3H3/t9-,10+,11+/m0/s1
InChIKeyFBMUXXDDDRPLPQ-HBNTYKKESA-N
MW198.26 g/mol
LogP1.16
Rot. Bonds4

About (1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol

(1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol (PubChem CID 159315257) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol
PubChem CID159315257
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol
SMILESC#C[C@@]1(CC)C[C@@H](O)C[C@H]1OCOC
InChIInChI=1S/C11H18O3/c1-4-11(5-2)7-9(12)6-10(11)14-8-13-3/h1,9-10,12H,5-8H2,2-3H3/t9-,10+,11+/m0/s1
InChIKeyFBMUXXDDDRPLPQ-HBNTYKKESA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol?
The IUPAC name of (1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol (CID 159315257) is (1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol.
What is the SMILES notation for (1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol?
The canonical SMILES for (1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol is C#C[C@@]1(CC)C[C@@H](O)C[C@H]1OCOC.
What is the InChIKey of (1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol?
The InChIKey is FBMUXXDDDRPLPQ-HBNTYKKESA-N. The full InChI is InChI=1S/C11H18O3/c1-4-11(5-2)7-9(12)6-10(11)14-8-13-3/h1,9-10,12H,5-8H2,2-3H3/t9-,10+,11+/m0/s1.
What are the key properties of (1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol?
(1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol is sourced from PubChem (CID 159315257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).