methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate

C10H14O4 — CID 142218799

IUPACmethyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate
SMILESC=C=CC1OC(C)(C)O[C@H]1C(=O)OC
InChIInChI=1S/C10H14O4/c1-5-6-7-8(9(11)12-4)14-10(2,3)13-7/h6-8H,1H2,2-4H3/t7?,8-/m1/s1
InChIKeyXICHQIFBIVSZDK-BRFYHDHCSA-N
MW198.22 g/mol
LogP1.02
Rot. Bonds2

About methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate

methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate (PubChem CID 142218799) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate
PubChem CID142218799
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate
SMILESC=C=CC1OC(C)(C)O[C@H]1C(=O)OC
InChIInChI=1S/C10H14O4/c1-5-6-7-8(9(11)12-4)14-10(2,3)13-7/h6-8H,1H2,2-4H3/t7?,8-/m1/s1
InChIKeyXICHQIFBIVSZDK-BRFYHDHCSA-N
XLogP1.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Vlysfroiivaenj-rnfrbkrxsa-
CID 13846565
methyl (4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 134860171
ethyl (4S)-2,2-dimethyl-5-(oxomethylidene)-1,3-dioxolane-4-carboxylate
CID 135038220
lithium (E)-methoxy-[(5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-ylidene]methanolate
CID 155932139
methyl (4S,5R)-5-[(E)-3-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 25228156
methyl (4R,5S)-5-[(E)-3-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 25228277
Methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10397529
(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 11401027
Methyl 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11745333
2,2-Dimethyl-5-vinyl-[1,3]dioxolane-4-carboxylic acid
CID 13550239
(5-Ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate
CID 18353928
3-Acetoxy-2-allyloxy-pent-4-enoic acid ethyl ester
CID 57723933

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate (CID 142218799) is methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate is C=C=CC1OC(C)(C)O[C@H]1C(=O)OC.
What is the InChIKey of methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate?
The InChIKey is XICHQIFBIVSZDK-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H14O4/c1-5-6-7-8(9(11)12-4)14-10(2,3)13-7/h6-8H,1H2,2-4H3/t7?,8-/m1/s1.
What are the key properties of methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate?
methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 142218799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).