(4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane

C13H24O2 — CID 136670620

IUPAC(4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane
SMILES[2H]/C(=C/[C@@H]([2H])[C@@H]1COC(C)(C)O1)CCCCC
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-12-11-14-13(2,3)15-12/h8-9,12H,4-7,10-11H2,1-3H3/b9-8-/t12-/m1/s1/i8D,10D/t10-,12-
InChIKeyXPSSKMQVXXBJJI-AVZBFJQMSA-N
MW214.35 g/mol
LogP3.66
Rot. Bonds6

About (4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane

(4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 136670620) has the molecular formula C13H24O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID136670620
Molecular FormulaC13H24O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane
SMILES[2H]/C(=C/[C@@H]([2H])[C@@H]1COC(C)(C)O1)CCCCC
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-12-11-14-13(2,3)15-12/h8-9,12H,4-7,10-11H2,1-3H3/b9-8-/t12-/m1/s1/i8D,10D/t10-,12-
InChIKeyXPSSKMQVXXBJJI-AVZBFJQMSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane with MolForge

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Launch Full Analysis

Related Compounds

4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(E)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)undec-3-en-2-one
CID 14705447
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-trihexylphosphanium
CID 177451904
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate
CID 95162554
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
4-[[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-1,3-dithian-2-yl]methyl]-2,2-dimethyl-1,3-dioxolane
CID 10895963
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(4S)-2,2-dimethyl-4-(octylsulfanyloxymethyl)-1,3-dioxolane
CID 166695399
4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 16753291

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane (CID 136670620) is (4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane is [2H]/C(=C/[C@@H]([2H])[C@@H]1COC(C)(C)O1)CCCCC.
What is the InChIKey of (4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is XPSSKMQVXXBJJI-AVZBFJQMSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-12-11-14-13(2,3)15-12/h8-9,12H,4-7,10-11H2,1-3H3/b9-8-/t12-/m1/s1/i8D,10D/t10-,12-.
What are the key properties of (4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane?
(4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 214.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(Z,1R)-1,3-dideuteriooct-2-enyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 136670620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).