4-(1,4-dioxan-2-yl)butan-1-ol

C8H16O3 — CID 19815830

IUPAC4-(1,4-dioxan-2-yl)butan-1-ol
SMILESOCCCCC1COCCO1
InChIInChI=1S/C8H16O3/c9-4-2-1-3-8-7-10-5-6-11-8/h8-9H,1-7H2
InChIKeyPCAFABVYIXQCDL-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.56
Rot. Bonds4

About 4-(1,4-dioxan-2-yl)butan-1-ol

4-(1,4-dioxan-2-yl)butan-1-ol (PubChem CID 19815830) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1,4-dioxan-2-yl)butan-1-ol
PubChem CID19815830
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-(1,4-dioxan-2-yl)butan-1-ol
SMILESOCCCCC1COCCO1
InChIInChI=1S/C8H16O3/c9-4-2-1-3-8-7-10-5-6-11-8/h8-9H,1-7H2
InChIKeyPCAFABVYIXQCDL-UHFFFAOYSA-N
XLogP0.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.56
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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Related Compounds

2-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614
2-pentadecyl-1,4-dioxane
CID 150124188
2-(3-bromopropyl)-1,4-dioxane
CID 126971311
2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane
CID 122553688
6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol
CID 107703242
2-pent-4-enyl-1,4-dioxane
CID 174797521
2-[(2R)-1,4-dioxan-2-yl]ethanamine
CID 94920257
4-(oxiran-2-yl)butan-1-ol;trimethoxysilane
CID 175102290
4-(1,3-dioxolan-4-yl)butan-1-ol;prop-2-enoic acid
CID 70376584
4-morpholin-2-ylbutan-1-ol
CID 66968859
2-(3-phenylpropyl)-1,4-dioxane
CID 100963956
2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 11760168

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-yl)butan-1-ol?
The IUPAC name of 4-(1,4-dioxan-2-yl)butan-1-ol (CID 19815830) is 4-(1,4-dioxan-2-yl)butan-1-ol.
What is the SMILES notation for 4-(1,4-dioxan-2-yl)butan-1-ol?
The canonical SMILES for 4-(1,4-dioxan-2-yl)butan-1-ol is OCCCCC1COCCO1.
What is the InChIKey of 4-(1,4-dioxan-2-yl)butan-1-ol?
The InChIKey is PCAFABVYIXQCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c9-4-2-1-3-8-7-10-5-6-11-8/h8-9H,1-7H2.
What are the key properties of 4-(1,4-dioxan-2-yl)butan-1-ol?
4-(1,4-dioxan-2-yl)butan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxan-2-yl)butan-1-ol is sourced from PubChem (CID 19815830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).