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

C9H16O2 — CID 135054378

IUPAC(3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol
SMILESC=C(C)[C@@H]1COC(C)(C)[C@@H]1O
InChIInChI=1S/C9H16O2/c1-6(2)7-5-11-9(3,4)8(7)10/h7-8,10H,1,5H2,2-4H3/t7-,8+/m0/s1
InChIKeyUNOJBRNZTGHINM-JGVFFNPUSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds1

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

(3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol (PubChem CID 135054378) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol.

Molecular Properties

Compound Name(3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol
PubChem CID135054378
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol
SMILESC=C(C)[C@@H]1COC(C)(C)[C@@H]1O
InChIInChI=1S/C9H16O2/c1-6(2)7-5-11-9(3,4)8(7)10/h7-8,10H,1,5H2,2-4H3/t7-,8+/m0/s1
InChIKeyUNOJBRNZTGHINM-JGVFFNPUSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
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-dimethyl-4-prop-1-en-2-yloxolan-3-ol?
The IUPAC name of (3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol (CID 135054378) is (3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol.
What is the SMILES notation for (3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol?
The canonical SMILES for (3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol is C=C(C)[C@@H]1COC(C)(C)[C@@H]1O.
What is the InChIKey of (3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol?
The InChIKey is UNOJBRNZTGHINM-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)7-5-11-9(3,4)8(7)10/h7-8,10H,1,5H2,2-4H3/t7-,8+/m0/s1.
What are the key properties of (3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol?
(3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 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-dimethyl-4-prop-1-en-2-yloxolan-3-ol is sourced from PubChem (CID 135054378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).