4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol

C9H18O2 — CID 122224443

IUPAC4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol
SMILESC[C@H]1CCO[C@H]1CCCCO
InChIInChI=1S/C9H18O2/c1-8-5-7-11-9(8)4-2-3-6-10/h8-10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyJDWANTUUASQYGF-IUCAKERBSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds4

About 4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol

4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol (PubChem CID 122224443) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol
PubChem CID122224443
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol
SMILESC[C@H]1CCO[C@H]1CCCCO
InChIInChI=1S/C9H18O2/c1-8-5-7-11-9(8)4-2-3-6-10/h8-10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyJDWANTUUASQYGF-IUCAKERBSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol?
The IUPAC name of 4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol (CID 122224443) is 4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol.
What is the SMILES notation for 4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol?
The canonical SMILES for 4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol is C[C@H]1CCO[C@H]1CCCCO.
What is the InChIKey of 4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol?
The InChIKey is JDWANTUUASQYGF-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18O2/c1-8-5-7-11-9(8)4-2-3-6-10/h8-10H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of 4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol?
4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol is sourced from PubChem (CID 122224443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).