(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol

C15H28O3 — CID 72708008

IUPAC(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CCCCCCC
InChIInChI=1S/C15H28O3/c1-5-7-8-9-10-11-12(16)14-13(6-2)17-15(3,4)18-14/h6,12-14,16H,2,5,7-11H2,1,3-4H3/t12-,13+,14-/m1/s1
InChIKeyUAUBLHVKQIZEBQ-HZSPNIEDSA-N
MW256.39 g/mol
LogP3.41
Rot. Bonds8

About (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol

(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol (PubChem CID 72708008) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol
PubChem CID72708008
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CCCCCCC
InChIInChI=1S/C15H28O3/c1-5-7-8-9-10-11-12(16)14-13(6-2)17-15(3,4)18-14/h6,12-14,16H,2,5,7-11H2,1,3-4H3/t12-,13+,14-/m1/s1
InChIKeyUAUBLHVKQIZEBQ-HZSPNIEDSA-N
XLogP3.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane
CID 11579383
(4R,5S)-(2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-YL)methan-1-OL
CID 11051924
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11321231
2,2-Dimethyl-alpha-2-propenyl-1,3-dioxolane-4-methanol
CID 12641532
[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 10607289
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10920969
(R)-1-((4R,5S)-2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 11063164
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11229054
[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 11240632
Allyl-beta-galactofuranose
CID 140714337
1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 155185118
[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 12190813

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol?
The IUPAC name of (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol (CID 72708008) is (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol.
What is the SMILES notation for (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol?
The canonical SMILES for (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol is C=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CCCCCCC.
What is the InChIKey of (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol?
The InChIKey is UAUBLHVKQIZEBQ-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H28O3/c1-5-7-8-9-10-11-12(16)14-13(6-2)17-15(3,4)18-14/h6,12-14,16H,2,5,7-11H2,1,3-4H3/t12-,13+,14-/m1/s1.
What are the key properties of (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol?
(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol is sourced from PubChem (CID 72708008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).