(2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

C11H22O4 — CID 134892653

IUPAC(2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCCCCO[C@@H](CO)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H22O4/c1-4-5-6-13-9(7-12)10-8-14-11(2,3)15-10/h9-10,12H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyAVARNMKDBOGIMB-UWVGGRQHSA-N
MW218.29 g/mol
LogP1.32
Rot. Bonds6

About (2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

(2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 134892653) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is (2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID134892653
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name(2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCCCCO[C@@H](CO)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H22O4/c1-4-5-6-13-9(7-12)10-8-14-11(2,3)15-10/h9-10,12H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyAVARNMKDBOGIMB-UWVGGRQHSA-N
XLogP1.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 134892653) is (2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is CCCCO[C@@H](CO)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is AVARNMKDBOGIMB-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-5-6-13-9(7-12)10-8-14-11(2,3)15-10/h9-10,12H,4-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
(2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 218.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butoxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 134892653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).