(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

C14H24O5 — CID 11288754

IUPAC(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
SMILESC=C[C@@H](O)[C@@H]1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C14H24O5/c1-7-9(15)11-12(19-14(5,6)18-11)10-8(2)16-13(3,4)17-10/h7-12,15H,1H2,2-6H3/t8-,9-,10-,11+,12+/m1/s1
InChIKeyURPMXRPOFLMHKG-JCIQBVFBSA-N
MW272.34 g/mol
LogP1.59
Rot. Bonds3

About (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

(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 (PubChem CID 11288754) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11288754
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(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
SMILESC=C[C@@H](O)[C@@H]1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C14H24O5/c1-7-9(15)11-12(19-14(5,6)18-11)10-8(2)16-13(3,4)17-10/h7-12,15H,1H2,2-6H3/t8-,9-,10-,11+,12+/m1/s1
InChIKeyURPMXRPOFLMHKG-JCIQBVFBSA-N
XLogP1.59
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C[C@@H](O)[C@@H]1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)O[C@@H]1C.
What is the InChIKey of (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?
The InChIKey is URPMXRPOFLMHKG-JCIQBVFBSA-N. The full InChI is InChI=1S/C14H24O5/c1-7-9(15)11-12(19-14(5,6)18-11)10-8(2)16-13(3,4)17-10/h7-12,15H,1H2,2-6H3/t8-,9-,10-,11+,12+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 272.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11288754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).