[(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C13H24O4 — CID 170404369

IUPAC[(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESC=CCC(C)[C@H](OC)[C@H]1OC(C)(C)O[C@H]1CO
InChIInChI=1S/C13H24O4/c1-6-7-9(2)11(15-5)12-10(8-14)16-13(3,4)17-12/h6,9-12,14H,1,7-8H2,2-5H3/t9?,10-,11-,12-/m0/s1
InChIKeyACJYXHOHUBDBFX-LLTYBXMGSA-N
MW244.33 g/mol
LogP1.73
Rot. Bonds6

About [(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 170404369) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is [(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID170404369
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name[(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESC=CCC(C)[C@H](OC)[C@H]1OC(C)(C)O[C@H]1CO
InChIInChI=1S/C13H24O4/c1-6-7-9(2)11(15-5)12-10(8-14)16-13(3,4)17-12/h6,9-12,14H,1,7-8H2,2-5H3/t9?,10-,11-,12-/m0/s1
InChIKeyACJYXHOHUBDBFX-LLTYBXMGSA-N
XLogP1.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 170404369) is [(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is C=CCC(C)[C@H](OC)[C@H]1OC(C)(C)O[C@H]1CO.
What is the InChIKey of [(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is ACJYXHOHUBDBFX-LLTYBXMGSA-N. The full InChI is InChI=1S/C13H24O4/c1-6-7-9(2)11(15-5)12-10(8-14)16-13(3,4)17-12/h6,9-12,14H,1,7-8H2,2-5H3/t9?,10-,11-,12-/m0/s1.
What are the key properties of [(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 244.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-5-[(1S)-1-methoxy-2-methylpent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 170404369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).