(4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane

C20H34O4 — CID 11988731

IUPAC(4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CCC[C@@H]1OC(C)(C)O[C@H]1CC[C@@H]1OC(C)(C)O[C@H]1CCC=C
InChIInChI=1S/C20H34O4/c1-7-9-11-15-17(23-19(3,4)21-15)13-14-18-16(12-10-8-2)22-20(5,6)24-18/h7-8,15-18H,1-2,9-14H2,3-6H3/t15-,16-,17-,18-/m0/s1
InChIKeyJBNQMDQGYBGJKE-XSLAGTTESA-N
MW338.49 g/mol
LogP4.74
Rot. Bonds9

About (4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane

(4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11988731) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is (4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11988731
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name(4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CCC[C@@H]1OC(C)(C)O[C@H]1CC[C@@H]1OC(C)(C)O[C@H]1CCC=C
InChIInChI=1S/C20H34O4/c1-7-9-11-15-17(23-19(3,4)21-15)13-14-18-16(12-10-8-2)22-20(5,6)24-18/h7-8,15-18H,1-2,9-14H2,3-6H3/t15-,16-,17-,18-/m0/s1
InChIKeyJBNQMDQGYBGJKE-XSLAGTTESA-N
XLogP4.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane with MolForge

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Launch Full Analysis

Related Compounds

3-[(4R,5R)-5-[(Z)-6-[(4R,5R)-5-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 11101436
(6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol
CID 134844306
trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane
CID 134901649
1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate
CID 135009671
(3aS,4R,6R,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 10590194
(3aS,4R,6S,6aR)-6-but-3-enyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 10780421
[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl] acetate
CID 24814902
2,2-Dimethyl-4-(10-undecenyloxymethyl)-1.3-dioxolane
CID 60132793
2-Methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
CID 67122228
(3S,4R,5S)-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]-4-[(Z)-octadec-9-enoxy]oxolan-3-ol
CID 88314766
(4R,5R)-4-but-3-enyl-5-heptyl-2,2-dimethyl-1,3-dioxolane
CID 89090856
(2R,3R)-3-[(2R,4S,5S)-4-methoxy-5-prop-2-enyloxolan-2-yl]-2-methyl-1,4-dioxaspiro[4.5]decane
CID 89575765

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane (CID 11988731) is (4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane is C=CCC[C@@H]1OC(C)(C)O[C@H]1CC[C@@H]1OC(C)(C)O[C@H]1CCC=C.
What is the InChIKey of (4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is JBNQMDQGYBGJKE-XSLAGTTESA-N. The full InChI is InChI=1S/C20H34O4/c1-7-9-11-15-17(23-19(3,4)21-15)13-14-18-16(12-10-8-2)22-20(5,6)24-18/h7-8,15-18H,1-2,9-14H2,3-6H3/t15-,16-,17-,18-/m0/s1.
What are the key properties of (4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane?
(4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 338.49 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11988731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).