(4R)-2-butoxy-4-methyloxolane

C9H18O2 — CID 11789482

IUPAC(4R)-2-butoxy-4-methyloxolane
SMILESCCCCOC1C[C@@H](C)CO1
InChIInChI=1S/C9H18O2/c1-3-4-5-10-9-6-8(2)7-11-9/h8-9H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyGKELCMDAONFLMI-VEDVMXKPSA-N
MW158.24 g/mol
LogP2.19
Rot. Bonds4

About (4R)-2-butoxy-4-methyloxolane

(4R)-2-butoxy-4-methyloxolane (PubChem CID 11789482) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (4R)-2-butoxy-4-methyloxolane.

Molecular Properties

Compound Name(4R)-2-butoxy-4-methyloxolane
PubChem CID11789482
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(4R)-2-butoxy-4-methyloxolane
SMILESCCCCOC1C[C@@H](C)CO1
InChIInChI=1S/C9H18O2/c1-3-4-5-10-9-6-8(2)7-11-9/h8-9H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyGKELCMDAONFLMI-VEDVMXKPSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-2-butoxy-4-methyloxolane 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,4R)-2-ethoxy-4-methyloxolane
CID 102317683
(2R,4S)-2-ethoxy-4-methyloxolane
CID 10558657
(3R,4S,6R)-6-butoxyoxane-3,4-diol
CID 101388444
(2R,4S)-2-butoxy-4-ethyloxolane
CID 131848104
(2S,4R)-2-butoxy-4-butyloxolane
CID 11264119
3-[(4R)-4-methyloxolan-2-yl]oxypropanoic acid
CID 155795469
4-but-1-enyl-2-butoxyoxolane
CID 85238910
(2S,5R)-2,5-dibutoxyoxane
CID 2311827
2,5-dibutoxymorpholine
CID 20511445
2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane
CID 11790491
2-[9-nonyl-10-octyl-19-(oxiran-2-yloxy)nonadecoxy]oxirane
CID 178065273
2-butyl-4-methyloxolane
CID 15370435

Frequently Asked Questions

What is the IUPAC name of (4R)-2-butoxy-4-methyloxolane?
The IUPAC name of (4R)-2-butoxy-4-methyloxolane (CID 11789482) is (4R)-2-butoxy-4-methyloxolane.
What is the SMILES notation for (4R)-2-butoxy-4-methyloxolane?
The canonical SMILES for (4R)-2-butoxy-4-methyloxolane is CCCCOC1C[C@@H](C)CO1.
What is the InChIKey of (4R)-2-butoxy-4-methyloxolane?
The InChIKey is GKELCMDAONFLMI-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-5-10-9-6-8(2)7-11-9/h8-9H,3-7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (4R)-2-butoxy-4-methyloxolane?
(4R)-2-butoxy-4-methyloxolane has a molecular weight of 158.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-butoxy-4-methyloxolane is sourced from PubChem (CID 11789482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).