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

C10H20O3 — CID 10535625

IUPAC4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol
SMILESCC1(C)OC[C@](C)(CCCCO)O1
InChIInChI=1S/C10H20O3/c1-9(2)12-8-10(3,13-9)6-4-5-7-11/h11H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyXYHVYSNSEVTKSD-JTQLQIEISA-N
MW188.27 g/mol
LogP1.69
Rot. Bonds4

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

4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol (PubChem CID 10535625) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol
PubChem CID10535625
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol
SMILESCC1(C)OC[C@](C)(CCCCO)O1
InChIInChI=1S/C10H20O3/c1-9(2)12-8-10(3,13-9)6-4-5-7-11/h11H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyXYHVYSNSEVTKSD-JTQLQIEISA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol?
The IUPAC name of 4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol (CID 10535625) is 4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol.
What is the SMILES notation for 4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol?
The canonical SMILES for 4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol is CC1(C)OC[C@](C)(CCCCO)O1.
What is the InChIKey of 4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol?
The InChIKey is XYHVYSNSEVTKSD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2)12-8-10(3,13-9)6-4-5-7-11/h11H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of 4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol?
4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butan-1-ol is sourced from PubChem (CID 10535625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).