(2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol

C10H18O2 — CID 6431476

IUPAC(2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol
SMILESC=C[C@@]1(C)OC(C)(C)CC[C@@H]1O
InChIInChI=1S/C10H18O2/c1-5-10(4)8(11)6-7-9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
InChIKeyJRSMRFHLUZKHCR-WCBMZHEXSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds1

About (2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol

(2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol (PubChem CID 6431476) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol
PubChem CID6431476
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol
SMILESC=C[C@@]1(C)OC(C)(C)CC[C@@H]1O
InChIInChI=1S/C10H18O2/c1-5-10(4)8(11)6-7-9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
InChIKeyJRSMRFHLUZKHCR-WCBMZHEXSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol 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)-2-ethenyl-2,6,6-trimethyloxan-3-ol?
The IUPAC name of (2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol (CID 6431476) is (2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol.
What is the SMILES notation for (2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol?
The canonical SMILES for (2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol is C=C[C@@]1(C)OC(C)(C)CC[C@@H]1O.
What is the InChIKey of (2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol?
The InChIKey is JRSMRFHLUZKHCR-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(4)8(11)6-7-9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1.
What are the key properties of (2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol?
(2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethenyl-2,6,6-trimethyloxan-3-ol is sourced from PubChem (CID 6431476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).