(3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol

C15H30O5 — CID 162416382

IUPAC(3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol
SMILESCC[C@@H](OCOC)C1(C)OC(C)(C)O[C@@H]1[C@@H](C)CCO
InChIInChI=1S/C15H30O5/c1-7-12(18-10-17-6)15(5)13(11(2)8-9-16)19-14(3,4)20-15/h11-13,16H,7-10H2,1-6H3/t11-,12+,13+,15?/m0/s1
InChIKeyNISUOQMKOBKRJA-IRYOAWFSSA-N
MW290.40 g/mol
LogP2.31
Rot. Bonds8

About (3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol

(3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol (PubChem CID 162416382) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is (3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol.

Molecular Properties

Compound Name(3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol
PubChem CID162416382
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name(3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol
SMILESCC[C@@H](OCOC)C1(C)OC(C)(C)O[C@@H]1[C@@H](C)CCO
InChIInChI=1S/C15H30O5/c1-7-12(18-10-17-6)15(5)13(11(2)8-9-16)19-14(3,4)20-15/h11-13,16H,7-10H2,1-6H3/t11-,12+,13+,15?/m0/s1
InChIKeyNISUOQMKOBKRJA-IRYOAWFSSA-N
XLogP2.31
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol?
The IUPAC name of (3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol (CID 162416382) is (3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol.
What is the SMILES notation for (3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol?
The canonical SMILES for (3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol is CC[C@@H](OCOC)C1(C)OC(C)(C)O[C@@H]1[C@@H](C)CCO.
What is the InChIKey of (3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol?
The InChIKey is NISUOQMKOBKRJA-IRYOAWFSSA-N. The full InChI is InChI=1S/C15H30O5/c1-7-12(18-10-17-6)15(5)13(11(2)8-9-16)19-14(3,4)20-15/h11-13,16H,7-10H2,1-6H3/t11-,12+,13+,15?/m0/s1.
What are the key properties of (3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol?
(3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol has a molecular weight of 290.40 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol is sourced from PubChem (CID 162416382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).