(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol

C10H18O4 — CID 162407928

IUPAC(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol
SMILESC=CCO[C@@H](CO)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O4/c1-4-5-12-8(6-11)9-7-13-10(2,3)14-9/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9-/m0/s1
InChIKeyYIWFPSYNILMABB-IUCAKERBSA-N
MW202.25 g/mol
LogP0.70
Rot. Bonds5

About (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol

(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol (PubChem CID 162407928) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol.

Molecular Properties

Compound Name(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol
PubChem CID162407928
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol
SMILESC=CCO[C@@H](CO)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O4/c1-4-5-12-8(6-11)9-7-13-10(2,3)14-9/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9-/m0/s1
InChIKeyYIWFPSYNILMABB-IUCAKERBSA-N
XLogP0.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol?
The IUPAC name of (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol (CID 162407928) is (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol.
What is the SMILES notation for (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol?
The canonical SMILES for (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol is C=CCO[C@@H](CO)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol?
The InChIKey is YIWFPSYNILMABB-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-5-12-8(6-11)9-7-13-10(2,3)14-9/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9-/m0/s1.
What are the key properties of (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol?
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol has a molecular weight of 202.25 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol is sourced from PubChem (CID 162407928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).