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

C11H20O3 — CID 134978759

IUPAC(2S)-1-[(4R)-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-VHSXEESVSA-N
MW200.28 g/mol
LogP1.86
Rot. Bonds5

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

(2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol (PubChem CID 134978759) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol
PubChem CID134978759
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2S)-1-[(4R)-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-VHSXEESVSA-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'}

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

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Related Compounds

5-(2-Methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol
CID 10057979
(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10899994
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11321231
2,2-Dimethyl-alpha-2-propenyl-1,3-dioxolane-4-methanol
CID 12641532
[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 10607289
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10920969
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11229054
4(5-Hexenyl)-2,2-dimethyl-1,3-dioxolane
CID 11458097
Allyl-beta-galactofuranose
CID 140714337
(2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol
CID 167099168
[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 12190813
(5-Allyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 21061831

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol?
The IUPAC name of (2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol (CID 134978759) is (2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol.
What is the SMILES notation for (2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol?
The canonical SMILES for (2S)-1-[(4R)-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-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol?
The InChIKey is YYWBMXOPPJANSO-VHSXEESVSA-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-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol?
(2S)-1-[(4R)-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-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol is sourced from PubChem (CID 134978759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).