(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran

C14H22O3 — CID 134967156

IUPAC(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CC[C@H]1O[C@H]([C@H]2COC(C)(C)O2)CC=C1C
InChIInChI=1S/C14H22O3/c1-5-6-11-10(2)7-8-12(16-11)13-9-15-14(3,4)17-13/h5,7,11-13H,1,6,8-9H2,2-4H3/t11-,12+,13-/m1/s1
InChIKeyGSPIHXDGZBBMOG-FRRDWIJNSA-N
MW238.33 g/mol
LogP2.82
Rot. Bonds3

About (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran

(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran (PubChem CID 134967156) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran
PubChem CID134967156
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CC[C@H]1O[C@H]([C@H]2COC(C)(C)O2)CC=C1C
InChIInChI=1S/C14H22O3/c1-5-6-11-10(2)7-8-12(16-11)13-9-15-14(3,4)17-13/h5,7,11-13H,1,6,8-9H2,2-4H3/t11-,12+,13-/m1/s1
InChIKeyGSPIHXDGZBBMOG-FRRDWIJNSA-N
XLogP2.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran (CID 134967156) is (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran is C=CC[C@H]1O[C@H]([C@H]2COC(C)(C)O2)CC=C1C.
What is the InChIKey of (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The InChIKey is GSPIHXDGZBBMOG-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-6-11-10(2)7-8-12(16-11)13-9-15-14(3,4)17-13/h5,7,11-13H,1,6,8-9H2,2-4H3/t11-,12+,13-/m1/s1.
What are the key properties of (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran?
(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran has a molecular weight of 238.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134967156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).