(5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane

C12H22O2 — CID 70658109

IUPAC(5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane
SMILESC=C(C)CC1OC(C)(C)O[C@H]1CCC
InChIInChI=1S/C12H22O2/c1-6-7-10-11(8-9(2)3)14-12(4,5)13-10/h10-11H,2,6-8H2,1,3-5H3/t10-,11?/m0/s1
InChIKeyIMWBOGPZPTVLET-VUWPPUDQSA-N
MW198.31 g/mol
LogP3.27
Rot. Bonds4

About (5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane

(5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane (PubChem CID 70658109) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane
PubChem CID70658109
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane
SMILESC=C(C)CC1OC(C)(C)O[C@H]1CCC
InChIInChI=1S/C12H22O2/c1-6-7-10-11(8-9(2)3)14-12(4,5)13-10/h10-11H,2,6-8H2,1,3-5H3/t10-,11?/m0/s1
InChIKeyIMWBOGPZPTVLET-VUWPPUDQSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.27
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 (5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane?
The IUPAC name of (5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane (CID 70658109) is (5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane.
What is the SMILES notation for (5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane?
The canonical SMILES for (5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane is C=C(C)CC1OC(C)(C)O[C@H]1CCC.
What is the InChIKey of (5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane?
The InChIKey is IMWBOGPZPTVLET-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H22O2/c1-6-7-10-11(8-9(2)3)14-12(4,5)13-10/h10-11H,2,6-8H2,1,3-5H3/t10-,11?/m0/s1.
What are the key properties of (5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane?
(5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane is sourced from PubChem (CID 70658109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).