(2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane

C21H34O2 — CID 174066280

IUPAC(2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane
SMILESC=C1C[C@H](C=CC)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C(C)(C)C)O1
InChIInChI=1S/C21H34O2/c1-8-9-17-13-15(3)19(22-17)11-10-18-12-14(2)16(4)20(23-18)21(5,6)7/h8-9,14,17-20H,3-4,10-13H2,1-2,5-7H3/t14-,17+,18+,19+,20+/m1/s1
InChIKeyNQLSSPKOZIMNNA-SSRYDLFMSA-N
MW318.50 g/mol
LogP5.45
Rot. Bonds4

About (2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane

(2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane (PubChem CID 174066280) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is (2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane.

Molecular Properties

Compound Name(2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane
PubChem CID174066280
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name(2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane
SMILESC=C1C[C@H](C=CC)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C(C)(C)C)O1
InChIInChI=1S/C21H34O2/c1-8-9-17-13-15(3)19(22-17)11-10-18-12-14(2)16(4)20(23-18)21(5,6)7/h8-9,14,17-20H,3-4,10-13H2,1-2,5-7H3/t14-,17+,18+,19+,20+/m1/s1
InChIKeyNQLSSPKOZIMNNA-SSRYDLFMSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane 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,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane?
The IUPAC name of (2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane (CID 174066280) is (2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane.
What is the SMILES notation for (2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane?
The canonical SMILES for (2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane is C=C1C[C@H](C=CC)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C(C)(C)C)O1.
What is the InChIKey of (2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane?
The InChIKey is NQLSSPKOZIMNNA-SSRYDLFMSA-N. The full InChI is InChI=1S/C21H34O2/c1-8-9-17-13-15(3)19(22-17)11-10-18-12-14(2)16(4)20(23-18)21(5,6)7/h8-9,14,17-20H,3-4,10-13H2,1-2,5-7H3/t14-,17+,18+,19+,20+/m1/s1.
What are the key properties of (2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane?
(2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane has a molecular weight of 318.50 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-2-tert-butyl-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-prop-1-enyloxolan-2-yl]ethyl]oxane is sourced from PubChem (CID 174066280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).