2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol

C11H20O3 — CID 135081245

IUPAC2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol
SMILESC=CC[C@H]1C[C@@H](CCO)OC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-4-5-9-8-10(6-7-12)14-11(2,3)13-9/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10+/m0/s1
InChIKeyOJZFRCAJDONRID-VHSXEESVSA-N
MW200.28 g/mol
LogP1.86
Rot. Bonds4

About 2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol

2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol (PubChem CID 135081245) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol
PubChem CID135081245
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol
SMILESC=CC[C@H]1C[C@@H](CCO)OC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-4-5-9-8-10(6-7-12)14-11(2,3)13-9/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10+/m0/s1
InChIKeyOJZFRCAJDONRID-VHSXEESVSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol with MolForge

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Related Compounds

(2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol
CID 162918456
Allyl fucoside
CID 22820540
(2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol
CID 11117066
2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol
CID 19096656
1-(Tetrahydropyran-2-yl)oxy-7-octen-6-ol
CID 11218441
(4S,6R)-6-(methoxymethoxy)tridec-1-en-4-ol
CID 12187867
(2S)-1-[(4R,6R)-6-[[(4S,6S)-6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]but-3-en-2-ol
CID 13809195
2-[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol
CID 21681679
(2R)-1-[(4S,6S)-6-[(2R)-2-hydroxypent-4-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol
CID 53248478
(2R)-6-(oxan-2-yloxy)undec-10-en-2-ol
CID 54590122
6-Prop-2-enyloxan-2-ol
CID 73001182
6-But-3-enyloxan-2-ol
CID 85806394

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol?
The IUPAC name of 2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol (CID 135081245) is 2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol.
What is the SMILES notation for 2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol?
The canonical SMILES for 2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol is C=CC[C@H]1C[C@@H](CCO)OC(C)(C)O1.
What is the InChIKey of 2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol?
The InChIKey is OJZFRCAJDONRID-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-5-9-8-10(6-7-12)14-11(2,3)13-9/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10+/m0/s1.
What are the key properties of 2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol?
2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol has a molecular weight of 200.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol is sourced from PubChem (CID 135081245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).