5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol

C17H32O5 — CID 143470703

IUPAC5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol
SMILESCCCCCC(OC[C@H]1COC(C)(C)O1)C1CC(O)C(C)O1
InChIInChI=1S/C17H32O5/c1-5-6-7-8-15(16-9-14(18)12(2)21-16)19-10-13-11-20-17(3,4)22-13/h12-16,18H,5-11H2,1-4H3/t12?,13-,14?,15?,16?/m0/s1
InChIKeyAKJKZPCEDLQAOA-KHXRNHLQSA-N
MW316.44 g/mol
LogP2.64
Rot. Bonds8

About 5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol

5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol (PubChem CID 143470703) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is 5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol
PubChem CID143470703
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol
SMILESCCCCCC(OC[C@H]1COC(C)(C)O1)C1CC(O)C(C)O1
InChIInChI=1S/C17H32O5/c1-5-6-7-8-15(16-9-14(18)12(2)21-16)19-10-13-11-20-17(3,4)22-13/h12-16,18H,5-11H2,1-4H3/t12?,13-,14?,15?,16?/m0/s1
InChIKeyAKJKZPCEDLQAOA-KHXRNHLQSA-N
XLogP2.64
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol with MolForge

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Related Compounds

4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol
CID 143470723
(1S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]butan-1-ol
CID 10917907
4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]butan-1-ol
CID 100939734
2,2-dimethyl-4-(2-propoxyhexadecoxymethyl)-1,3-dioxolane
CID 622798
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-trihexylphosphanium
CID 177451904
3-[4-[1-(4-hydroxy-5-methyloxolan-2-yl)ethoxymethyl]-2-methyl-1,3-dioxolan-2-yl]propanoic acid
CID 70667431
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl octanoate
CID 11230661
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl heptacosanoate
CID 71770385
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol?
The IUPAC name of 5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol (CID 143470703) is 5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol?
The canonical SMILES for 5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol is CCCCCC(OC[C@H]1COC(C)(C)O1)C1CC(O)C(C)O1.
What is the InChIKey of 5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol?
The InChIKey is AKJKZPCEDLQAOA-KHXRNHLQSA-N. The full InChI is InChI=1S/C17H32O5/c1-5-6-7-8-15(16-9-14(18)12(2)21-16)19-10-13-11-20-17(3,4)22-13/h12-16,18H,5-11H2,1-4H3/t12?,13-,14?,15?,16?/m0/s1.
What are the key properties of 5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol?
5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol has a molecular weight of 316.44 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]hexyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 143470703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).