(3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol

C10H18O2 — CID 135067717

IUPAC(3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol
SMILESC=C(C)[C@]1(C)COC(C)(C)[C@@H]1O
InChIInChI=1S/C10H18O2/c1-7(2)10(5)6-12-9(3,4)8(10)11/h8,11H,1,6H2,2-5H3/t8-,10-/m0/s1
InChIKeyXLLQRUBXJHBXIR-WPRPVWTQSA-N
MW170.25 g/mol
LogP1.74
Rot. Bonds1

About (3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol

(3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol (PubChem CID 135067717) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol.

Molecular Properties

Compound Name(3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol
PubChem CID135067717
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol
SMILESC=C(C)[C@]1(C)COC(C)(C)[C@@H]1O
InChIInChI=1S/C10H18O2/c1-7(2)10(5)6-12-9(3,4)8(10)11/h8,11H,1,6H2,2-5H3/t8-,10-/m0/s1
InChIKeyXLLQRUBXJHBXIR-WPRPVWTQSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
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 (3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol?
The IUPAC name of (3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol (CID 135067717) is (3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol.
What is the SMILES notation for (3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol?
The canonical SMILES for (3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol is C=C(C)[C@]1(C)COC(C)(C)[C@@H]1O.
What is the InChIKey of (3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol?
The InChIKey is XLLQRUBXJHBXIR-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)10(5)6-12-9(3,4)8(10)11/h8,11H,1,6H2,2-5H3/t8-,10-/m0/s1.
What are the key properties of (3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol?
(3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol is sourced from PubChem (CID 135067717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).