2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol

C15H26O4 — CID 11173275

IUPAC2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol
SMILESC=C(C)[C@H]1OC(C)(C)O[C@H]1[C@H]1C[C@@H](C)[C@H](CCO)O1
InChIInChI=1S/C15H26O4/c1-9(2)13-14(19-15(4,5)18-13)12-8-10(3)11(17-12)6-7-16/h10-14,16H,1,6-8H2,2-5H3/t10-,11+,12-,13-,14+/m1/s1
InChIKeyIEAZSXFLPNCVDI-ITGHMWBKSA-N
MW270.37 g/mol
LogP2.26
Rot. Bonds4

About 2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol

2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol (PubChem CID 11173275) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol
PubChem CID11173275
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol
SMILESC=C(C)[C@H]1OC(C)(C)O[C@H]1[C@H]1C[C@@H](C)[C@H](CCO)O1
InChIInChI=1S/C15H26O4/c1-9(2)13-14(19-15(4,5)18-13)12-8-10(3)11(17-12)6-7-16/h10-14,16H,1,6-8H2,2-5H3/t10-,11+,12-,13-,14+/m1/s1
InChIKeyIEAZSXFLPNCVDI-ITGHMWBKSA-N
XLogP2.26
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol with MolForge

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Related Compounds

(3aR,5R)-5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 159327740
2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol
CID 11506759
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol
CID 143992071
6-ethyl-2,2,7-trimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine
CID 20716974
2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
CID 14705267
4-methyl-5-prop-1-en-2-yloxolan-2-ol
CID 14174436
acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71351284
3-[(3aR,4R,6R,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]propan-1-ol
CID 11107962
(4R,6S)-2,2,5-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxane
CID 11003579
[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 11805484
2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 148584405

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol?
The IUPAC name of 2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol (CID 11173275) is 2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol?
The canonical SMILES for 2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol is C=C(C)[C@H]1OC(C)(C)O[C@H]1[C@H]1C[C@@H](C)[C@H](CCO)O1.
What is the InChIKey of 2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol?
The InChIKey is IEAZSXFLPNCVDI-ITGHMWBKSA-N. The full InChI is InChI=1S/C15H26O4/c1-9(2)13-14(19-15(4,5)18-13)12-8-10(3)11(17-12)6-7-16/h10-14,16H,1,6-8H2,2-5H3/t10-,11+,12-,13-,14+/m1/s1.
What are the key properties of 2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol?
2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol has a molecular weight of 270.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol is sourced from PubChem (CID 11173275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).