(4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane

C21H34O4 — CID 11348685

IUPAC(4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane
SMILESC=CCO[C@@H](CC(=C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H](CC(=C)C)OCC=C
InChIInChI=1S/C21H34O4/c1-9-11-22-17(13-15(3)4)19-20(25-21(7,8)24-19)18(14-16(5)6)23-12-10-2/h9-10,17-20H,1-3,5,11-14H2,4,6-8H3/t17-,18-,19+,20+/m0/s1
InChIKeyYOPLNJTZBZBHSK-VNTMZGSJSA-N
MW350.50 g/mol
LogP4.58
Rot. Bonds12

About (4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane

(4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane (PubChem CID 11348685) has the molecular formula C21H34O4 and a molecular weight of 350.50 g/mol. Its IUPAC name is (4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane
PubChem CID11348685
Molecular FormulaC21H34O4
Molecular Weight350.50 g/mol
Exact Mass350.25
IUPAC Name(4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane
SMILESC=CCO[C@@H](CC(=C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H](CC(=C)C)OCC=C
InChIInChI=1S/C21H34O4/c1-9-11-22-17(13-15(3)4)19-20(25-21(7,8)24-19)18(14-16(5)6)23-12-10-2/h9-10,17-20H,1-3,5,11-14H2,4,6-8H3/t17-,18-,19+,20+/m0/s1
InChIKeyYOPLNJTZBZBHSK-VNTMZGSJSA-N
XLogP4.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-[(S)-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-5-methylidene-1,3-dioxane
CID 16037432
1,3-Dioxolane, 2,2-dimethyl-4-[[[2-(2-propenyloxy)hexadecyl]oxy]methyl]-
CID 546779
(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran
CID 11162206
(4S)-2,2-dimethyl-4-[(4R)-4-(2-methylprop-2-enoxy)tridec-1-en-4-yl]-1,3-dioxolane
CID 11314170
(4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane
CID 11394482
(4S,5S)-4-ethenyl-2,2-dimethyl-5-tetradecyl-1,3-dioxolane
CID 11484174
(4S,5S)-4,5-bis[(1S)-1-methoxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolane
CID 12051046
(2R,6S)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-ethyl-3-methylideneoxane
CID 57928144
CID 59971475
CID 59971475
2,2-Dimethyl-4-(10-undecenyloxymethyl)-1.3-dioxolane
CID 60132793
(4R,5R)-4-heptyl-5-[(2S)-2-methoxybut-3-enyl]-2,2-dimethyl-1,3-dioxolane
CID 70643244
[(2S)-1-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-yl] acetate
CID 70643274

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane?
The IUPAC name of (4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane (CID 11348685) is (4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane?
The canonical SMILES for (4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane is C=CCO[C@@H](CC(=C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H](CC(=C)C)OCC=C.
What is the InChIKey of (4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane?
The InChIKey is YOPLNJTZBZBHSK-VNTMZGSJSA-N. The full InChI is InChI=1S/C21H34O4/c1-9-11-22-17(13-15(3)4)19-20(25-21(7,8)24-19)18(14-16(5)6)23-12-10-2/h9-10,17-20H,1-3,5,11-14H2,4,6-8H3/t17-,18-,19+,20+/m0/s1.
What are the key properties of (4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane?
(4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane has a molecular weight of 350.50 g/mol, XLogP of 4.58, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane is sourced from PubChem (CID 11348685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).