(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol

C15H26O4 — CID 54200969

IUPAC(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol
SMILESC=C(C)C[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)C=C(C)C
InChIInChI=1S/C15H26O4/c1-9(2)7-11(16)13-14(12(17)8-10(3)4)19-15(5,6)18-13/h8,11-14,16-17H,1,7H2,2-6H3/t11-,12-,13-,14-/m1/s1
InChIKeyPPFAFUBGBDHYCH-AAVRWANBSA-N
MW270.37 g/mol
LogP2.16
Rot. Bonds5

About (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol

(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol (PubChem CID 54200969) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol
PubChem CID54200969
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol
SMILESC=C(C)C[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)C=C(C)C
InChIInChI=1S/C15H26O4/c1-9(2)7-11(16)13-14(12(17)8-10(3)4)19-15(5,6)18-13/h8,11-14,16-17H,1,7H2,2-6H3/t11-,12-,13-,14-/m1/s1
InChIKeyPPFAFUBGBDHYCH-AAVRWANBSA-N
XLogP2.16
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
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 (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol?
The IUPAC name of (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol (CID 54200969) is (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol.
What is the SMILES notation for (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol?
The canonical SMILES for (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol is C=C(C)C[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)C=C(C)C.
What is the InChIKey of (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol?
The InChIKey is PPFAFUBGBDHYCH-AAVRWANBSA-N. The full InChI is InChI=1S/C15H26O4/c1-9(2)7-11(16)13-14(12(17)8-10(3)4)19-15(5,6)18-13/h8,11-14,16-17H,1,7H2,2-6H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol?
(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol has a molecular weight of 270.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol is sourced from PubChem (CID 54200969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).