(E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol

C11H20O3 — CID 10998033

IUPAC(E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
SMILESC/C=C/[C@H](O)[C@H]1COC(CC)(CC)O1
InChIInChI=1S/C11H20O3/c1-4-7-9(12)10-8-13-11(5-2,6-3)14-10/h4,7,9-10,12H,5-6,8H2,1-3H3/b7-4+/t9-,10+/m0/s1
InChIKeyJFLTXADQKXJTTO-JDWDQXLLSA-N
MW200.28 g/mol
LogP1.86
Rot. Bonds4

About (E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol

(E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol (PubChem CID 10998033) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol.

Molecular Properties

Compound Name(E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
PubChem CID10998033
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
SMILESC/C=C/[C@H](O)[C@H]1COC(CC)(CC)O1
InChIInChI=1S/C11H20O3/c1-4-7-9(12)10-8-13-11(5-2,6-3)14-10/h4,7,9-10,12H,5-6,8H2,1-3H3/b7-4+/t9-,10+/m0/s1
InChIKeyJFLTXADQKXJTTO-JDWDQXLLSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol?
The IUPAC name of (E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol (CID 10998033) is (E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol.
What is the SMILES notation for (E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol?
The canonical SMILES for (E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol is C/C=C/[C@H](O)[C@H]1COC(CC)(CC)O1.
What is the InChIKey of (E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol?
The InChIKey is JFLTXADQKXJTTO-JDWDQXLLSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-7-9(12)10-8-13-11(5-2,6-3)14-10/h4,7,9-10,12H,5-6,8H2,1-3H3/b7-4+/t9-,10+/m0/s1.
What are the key properties of (E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol?
(E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol is sourced from PubChem (CID 10998033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).