[(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate

C15H26O4 — CID 11000124

IUPAC[(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate
SMILESCC(=O)OC/C=C(\C)CC[C@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C15H26O4/c1-11(9-10-17-12(2)16)7-8-13-14(3,4)19-15(5,6)18-13/h9,13H,7-8,10H2,1-6H3/b11-9+/t13-/m1/s1
InChIKeyGVGSIRPIWORMPB-YGNAEDSMSA-N
MW270.37 g/mol
LogP3.21
Rot. Bonds5

About [(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate

[(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate (PubChem CID 11000124) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is [(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate
PubChem CID11000124
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name[(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate
SMILESCC(=O)OC/C=C(\C)CC[C@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C15H26O4/c1-11(9-10-17-12(2)16)7-8-13-14(3,4)19-15(5,6)18-13/h9,13H,7-8,10H2,1-6H3/b11-9+/t13-/m1/s1
InChIKeyGVGSIRPIWORMPB-YGNAEDSMSA-N
XLogP3.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2E,6E)-7-[(2R)-5,5-dimethyloxolan-2-yl]-3-methylocta-2,6-dienoate
CID 162922478
[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl] methyl carbonate
CID 15677791
ethyl (3aR,5Z,8E,12E,15aS)-2,2,3a,9,13-pentamethyl-7,10,11,14,15,15a-hexahydro-4H-cyclotetradeca[d][1,3]dioxole-6-carboxylate
CID 11268895
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl] ethyl carbonate
CID 11287965
4,8,8-Trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene
CID 12971958
ethyl (3aR,5E,8E,12E,15aS)-2,2,3a,9,13-pentamethyl-7,10,11,14,15,15a-hexahydro-4H-cyclotetradeca[d][1,3]dioxole-6-carboxylate
CID 134918884
[(5R,7R)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl] acetate
CID 135017518
[(5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl] acetate
CID 135040408
(E, E)-3,7,11-Trimethyl-7,10-epoxydodeca-2,5,11-trien-1-yl acetate
CID 6429052
[(1R)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-yl] acetate
CID 10977181
ethyl (E,6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhept-2-enoate
CID 11521880
ethyl (Z,6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhept-2-enoate
CID 11565266

Frequently Asked Questions

What is the IUPAC name of [(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate?
The IUPAC name of [(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate (CID 11000124) is [(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate.
What is the SMILES notation for [(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate?
The canonical SMILES for [(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate is CC(=O)OC/C=C(\C)CC[C@H]1OC(C)(C)OC1(C)C.
What is the InChIKey of [(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate?
The InChIKey is GVGSIRPIWORMPB-YGNAEDSMSA-N. The full InChI is InChI=1S/C15H26O4/c1-11(9-10-17-12(2)16)7-8-13-14(3,4)19-15(5,6)18-13/h9,13H,7-8,10H2,1-6H3/b11-9+/t13-/m1/s1.
What are the key properties of [(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate?
[(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate has a molecular weight of 270.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enyl] acetate is sourced from PubChem (CID 11000124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).