(1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol

C11H20O4 — CID 135056753

IUPAC(1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol
SMILESCC(C)=CC1([C@@H](O)C(C)(C)O)OCCO1
InChIInChI=1S/C11H20O4/c1-8(2)7-11(14-5-6-15-11)9(12)10(3,4)13/h7,9,12-13H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyNJIJCRRKKTUUDQ-VIFPVBQESA-N
MW216.28 g/mol
LogP0.83
Rot. Bonds3

About (1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol

(1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol (PubChem CID 135056753) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name(1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol
PubChem CID135056753
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol
SMILESCC(C)=CC1([C@@H](O)C(C)(C)O)OCCO1
InChIInChI=1S/C11H20O4/c1-8(2)7-11(14-5-6-15-11)9(12)10(3,4)13/h7,9,12-13H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyNJIJCRRKKTUUDQ-VIFPVBQESA-N
XLogP0.83
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol with MolForge

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Related Compounds

1,3-Dioxolane-4-methanol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-
CID 110693
Citral glyceryl acetal, (E)-
CID 6437578
1,3-Dioxolane-4-methanol, 2-((1Z)-2,6-dimethyl-1,5-heptadienyl)-
CID 71587781
(2R)-3,3-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]propane-1,2-diol
CID 118012903
(2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol
CID 118012904
(2R)-2-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]-1,1-difluorobutan-2-ol
CID 121430272
(2R)-1,1-difluoro-3-sulfanyloxy-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]propan-2-ol
CID 126723241
(2R)-3,3-difluoro-2-[(5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]propane-1,2-diol
CID 129150139
3,3-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]propane-1,2-diol
CID 156259523
(2R)-2-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]-3,3,3-trifluoropropane-1,2-diol
CID 169068433
2-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]-3,3,3-trifluoropropane-1,2-diol
CID 169778738
(3,7,7-Trimethyl-2,5,6,7-tetrahydrooxepin-2-yl)methanol
CID 15487136

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol?
The IUPAC name of (1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol (CID 135056753) is (1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol.
What is the SMILES notation for (1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol?
The canonical SMILES for (1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol is CC(C)=CC1([C@@H](O)C(C)(C)O)OCCO1.
What is the InChIKey of (1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol?
The InChIKey is NJIJCRRKKTUUDQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20O4/c1-8(2)7-11(14-5-6-15-11)9(12)10(3,4)13/h7,9,12-13H,5-6H2,1-4H3/t9-/m0/s1.
What are the key properties of (1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol?
(1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol has a molecular weight of 216.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol is sourced from PubChem (CID 135056753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).