(2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane

C10H17BrO — CID 927877

IUPAC(2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane
SMILESC=C(C)[C@@H]1CC[C@H](C)O[C@H]1CBr
InChIInChI=1S/C10H17BrO/c1-7(2)9-5-4-8(3)12-10(9)6-11/h8-10H,1,4-6H2,2-3H3/t8-,9-,10-/m0/s1
InChIKeyGOOFXTMOTGPMGS-GUBZILKMSA-N
MW233.15 g/mol
LogP3.14
Rot. Bonds2

About (2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane

(2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane (PubChem CID 927877) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is (2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane.

Molecular Properties

Compound Name(2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane
PubChem CID927877
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name(2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane
SMILESC=C(C)[C@@H]1CC[C@H](C)O[C@H]1CBr
InChIInChI=1S/C10H17BrO/c1-7(2)9-5-4-8(3)12-10(9)6-11/h8-10H,1,4-6H2,2-3H3/t8-,9-,10-/m0/s1
InChIKeyGOOFXTMOTGPMGS-GUBZILKMSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane?
The IUPAC name of (2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane (CID 927877) is (2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane.
What is the SMILES notation for (2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane?
The canonical SMILES for (2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane is C=C(C)[C@@H]1CC[C@H](C)O[C@H]1CBr.
What is the InChIKey of (2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane?
The InChIKey is GOOFXTMOTGPMGS-GUBZILKMSA-N. The full InChI is InChI=1S/C10H17BrO/c1-7(2)9-5-4-8(3)12-10(9)6-11/h8-10H,1,4-6H2,2-3H3/t8-,9-,10-/m0/s1.
What are the key properties of (2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane?
(2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane has a molecular weight of 233.15 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-(bromomethyl)-6-methyl-3-prop-1-en-2-yloxane is sourced from PubChem (CID 927877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).