(2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane

C15H30O3 — CID 70293691

IUPAC(2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane
SMILESCCCCOC[C@@H](OCCCC)[C@@H]1CC[C@@H](C)O1
InChIInChI=1S/C15H30O3/c1-4-6-10-16-12-15(17-11-7-5-2)14-9-8-13(3)18-14/h13-15H,4-12H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyYWPZJONWGYJCAB-QLFBSQMISA-N
MW258.40 g/mol
LogP3.56
Rot. Bonds10

About (2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane

(2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane (PubChem CID 70293691) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is (2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane.

Molecular Properties

Compound Name(2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane
PubChem CID70293691
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name(2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane
SMILESCCCCOC[C@@H](OCCCC)[C@@H]1CC[C@@H](C)O1
InChIInChI=1S/C15H30O3/c1-4-6-10-16-12-15(17-11-7-5-2)14-9-8-13(3)18-14/h13-15H,4-12H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyYWPZJONWGYJCAB-QLFBSQMISA-N
XLogP3.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-1-(5-methyloxolan-2-yl)ethoxy]propan-1-ol
CID 103377516
(2R,5R)-2-[(1R)-1-(methoxymethoxy)undecyl]-5-[(2R,5S)-5-methyloxolan-2-yl]oxolane
CID 89207909
1-(5-methyloxolan-2-yl)pentan-1-ol
CID 82837329
N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine
CID 115837035
1,2-dibutoxyhexane
CID 19805858
2-(hexadecoxymethyl)-5-methyloxolane
CID 68865458
1-(5-methyloxolan-2-yl)butan-1-ol
CID 82837669
(2R)-2-[(1S)-1,2-dioctadecoxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 70376422
1-(5-methyloxolan-2-yl)heptylhydrazine
CID 105294090
butane;2-(dodecoxymethyl)-5-methyloxolane
CID 144869881
1-butoxybutane;2-methyloxirane;oxirane
CID 129186869
2-[butoxy(oxiran-2-yl)methyl]oxirane
CID 146313335

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane?
The IUPAC name of (2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane (CID 70293691) is (2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane.
What is the SMILES notation for (2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane?
The canonical SMILES for (2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane is CCCCOC[C@@H](OCCCC)[C@@H]1CC[C@@H](C)O1.
What is the InChIKey of (2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane?
The InChIKey is YWPZJONWGYJCAB-QLFBSQMISA-N. The full InChI is InChI=1S/C15H30O3/c1-4-6-10-16-12-15(17-11-7-5-2)14-9-8-13(3)18-14/h13-15H,4-12H2,1-3H3/t13-,14+,15-/m1/s1.
What are the key properties of (2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane?
(2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane has a molecular weight of 258.40 g/mol, XLogP of 3.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-[(1R)-1,2-dibutoxyethyl]-5-methyloxolane is sourced from PubChem (CID 70293691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).