(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol

C11H20O3 — CID 14164707

IUPAC(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol
SMILESC=CCC[C@H](O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-4-5-6-9(12)7-10-8-13-11(2,3)14-10/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKeyYYWBMXOPPJANSO-UWVGGRQHSA-N
MW200.28 g/mol
LogP1.86
Rot. Bonds5

About (2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol

(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol (PubChem CID 14164707) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol
PubChem CID14164707
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol
SMILESC=CCC[C@H](O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-4-5-6-9(12)7-10-8-13-11(2,3)14-10/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKeyYYWBMXOPPJANSO-UWVGGRQHSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 (2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol?
The IUPAC name of (2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol (CID 14164707) is (2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol.
What is the SMILES notation for (2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol?
The canonical SMILES for (2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol is C=CCC[C@H](O)C[C@H]1COC(C)(C)O1.
What is the InChIKey of (2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol?
The InChIKey is YYWBMXOPPJANSO-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-5-6-9(12)7-10-8-13-11(2,3)14-10/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10-/m0/s1.
What are the key properties of (2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol?
(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol has a molecular weight of 200.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol is sourced from PubChem (CID 14164707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).