2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane

C13H24O2 — CID 10889220

IUPAC2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane
SMILESC=C[C@@H](C)CCC1OC(C)(C)OC1(C)C
InChIInChI=1S/C13H24O2/c1-7-10(2)8-9-11-12(3,4)15-13(5,6)14-11/h7,10-11H,1,8-9H2,2-6H3/t10-,11?/m1/s1
InChIKeySINVOSHMYMFFRE-NFJWQWPMSA-N
MW212.33 g/mol
LogP3.52
Rot. Bonds4

About 2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane

2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane (PubChem CID 10889220) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane
PubChem CID10889220
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane
SMILESC=C[C@@H](C)CCC1OC(C)(C)OC1(C)C
InChIInChI=1S/C13H24O2/c1-7-10(2)8-9-11-12(3,4)15-13(5,6)14-11/h7,10-11H,1,8-9H2,2-6H3/t10-,11?/m1/s1
InChIKeySINVOSHMYMFFRE-NFJWQWPMSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane?
The IUPAC name of 2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane (CID 10889220) is 2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane.
What is the SMILES notation for 2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane?
The canonical SMILES for 2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane is C=C[C@@H](C)CCC1OC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane?
The InChIKey is SINVOSHMYMFFRE-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H24O2/c1-7-10(2)8-9-11-12(3,4)15-13(5,6)14-11/h7,10-11H,1,8-9H2,2-6H3/t10-,11?/m1/s1.
What are the key properties of 2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane?
2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane has a molecular weight of 212.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane is sourced from PubChem (CID 10889220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).