(2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane

C11H18O — CID 135037566

IUPAC(2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane
SMILESC=CC[C@@H]1C[C@](C)(C=C)[C@@H](C)O1
InChIInChI=1S/C11H18O/c1-5-7-10-8-11(4,6-2)9(3)12-10/h5-6,9-10H,1-2,7-8H2,3-4H3/t9-,10-,11+/m1/s1
InChIKeyLPFSNRHTBTUATM-MXWKQRLJSA-N
MW166.26 g/mol
LogP2.93
Rot. Bonds3

About (2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane

(2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane (PubChem CID 135037566) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane.

Molecular Properties

Compound Name(2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane
PubChem CID135037566
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane
SMILESC=CC[C@@H]1C[C@](C)(C=C)[C@@H](C)O1
InChIInChI=1S/C11H18O/c1-5-7-10-8-11(4,6-2)9(3)12-10/h5-6,9-10H,1-2,7-8H2,3-4H3/t9-,10-,11+/m1/s1
InChIKeyLPFSNRHTBTUATM-MXWKQRLJSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane with MolForge

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

Launch Full Analysis

Related Compounds

2-Allyl-2-methyltetrahydrofuran
CID 13114884
2,5-Bis(ethenyl)-3,3-dimethyloxolane
CID 10953719
(2R,3R,5R)-2-butyl-3-ethenyl-3-methyl-5-prop-2-enyloxolane
CID 16125788
(2R,3R,5R)-2-butyl-3-ethenyl-3-methyl-5-(2-methylprop-2-enyl)oxolane
CID 16125789
2-Methyl-4-(non-8-en-1-yl)oxolane
CID 71330222
2-Ethyl-4-(8-nonenyl) tetrahydrofuran
CID 86109328
(2R,3R)-3-methyl-2-pent-4-enyloxolane
CID 134951044
(2R,3S)-3-ethenyl-2-propyloxolane
CID 134995923
(2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane
CID 135037604
(2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane
CID 135037631
2,5-Dibutyl-3-ethenyloxolane
CID 170458430
3aEthenyla2,5adipropyloxolane
CID 101635035

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane?
The IUPAC name of (2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane (CID 135037566) is (2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane.
What is the SMILES notation for (2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane?
The canonical SMILES for (2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane is C=CC[C@@H]1C[C@](C)(C=C)[C@@H](C)O1.
What is the InChIKey of (2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane?
The InChIKey is LPFSNRHTBTUATM-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H18O/c1-5-7-10-8-11(4,6-2)9(3)12-10/h5-6,9-10H,1-2,7-8H2,3-4H3/t9-,10-,11+/m1/s1.
What are the key properties of (2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane?
(2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane has a molecular weight of 166.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-3-ethenyl-2,3-dimethyl-5-prop-2-enyloxolane is sourced from PubChem (CID 135037566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).