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

C11H20O3 — CID 162420027

IUPAC(3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol
SMILESC=CC[C@@H](O)CC[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-4-5-9(12)6-7-10-8-13-11(2,3)14-10/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10+/m1/s1
InChIKeyIMMHDLHAFGGVSF-ZJUUUORDSA-N
MW200.28 g/mol
LogP1.86
Rot. Bonds5

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

(3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol (PubChem CID 162420027) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol.

Molecular Properties

Compound Name(3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol
PubChem CID162420027
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol
SMILESC=CC[C@@H](O)CC[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-4-5-9(12)6-7-10-8-13-11(2,3)14-10/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10+/m1/s1
InChIKeyIMMHDLHAFGGVSF-ZJUUUORDSA-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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Related Compounds

(2S,3R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-prop-2-enyloxane-3,4,5-triol
CID 129637651
Allyl-beta-galactofuranose
CID 140714337
(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 10888665
(1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10956243
(1R)-1-[(4R,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 11009419
(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 11019582
1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]but-3-en-1-ol
CID 11095962
(1R)-1-[(4S,5R)-2,2-dimethyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 11288754
(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol
CID 14164707
2-[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol
CID 21681679
(2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol
CID 24905943
(2S)-7-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-ol
CID 25018184

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol?
The IUPAC name of (3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol (CID 162420027) is (3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol.
What is the SMILES notation for (3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol?
The canonical SMILES for (3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol is C=CC[C@@H](O)CC[C@H]1COC(C)(C)O1.
What is the InChIKey of (3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol?
The InChIKey is IMMHDLHAFGGVSF-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-5-9(12)6-7-10-8-13-11(2,3)14-10/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10+/m1/s1.
What are the key properties of (3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol?
(3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-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 (3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol is sourced from PubChem (CID 162420027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).