3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol

C8H16O4 — CID 158555947

IUPAC3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol
SMILESCC1(OCCCO)OCCCO1
InChIInChI=1S/C8H16O4/c1-8(10-5-2-4-9)11-6-3-7-12-8/h9H,2-7H2,1H3
InChIKeyOJMGJYUWNKQSFO-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.50
Rot. Bonds4

About 3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol

3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol (PubChem CID 158555947) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol
PubChem CID158555947
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol
SMILESCC1(OCCCO)OCCCO1
InChIInChI=1S/C8H16O4/c1-8(10-5-2-4-9)11-6-3-7-12-8/h9H,2-7H2,1H3
InChIKeyOJMGJYUWNKQSFO-UHFFFAOYSA-N
XLogP0.50
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol;2-methyl-2-[3-[(2-methyl-1,3-dioxan-2-yl)oxy]propoxy]-1,3-dioxane
CID 158555946
1-(3-hydroxypropoxy)cyclooctane-1-carbonitrile
CID 103376575
(2-methyl-1,3-dioxan-2-yl) nonanoate
CID 177076090
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]propan-1-ol
CID 56946744
2-hex-5-ynoxy-2-methyloxane
CID 102085844
3-butoxy-3-methyldioxirane;titanium
CID 175327967
bis(butan-1-ol);cyclobutane
CID 140562216
(E)-5-[(1-ethylcyclobutyl)methoxy]hex-4-en-1-ol
CID 71165719
3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol
CID 106874712
1-heptoxycycloheptan-1-ol
CID 175442996
(E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol
CID 23260524
cyclobutane;ethane-1,2-diol;oxirane
CID 87322567

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol?
The IUPAC name of 3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol (CID 158555947) is 3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol.
What is the SMILES notation for 3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol?
The canonical SMILES for 3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol is CC1(OCCCO)OCCCO1.
What is the InChIKey of 3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol?
The InChIKey is OJMGJYUWNKQSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-8(10-5-2-4-9)11-6-3-7-12-8/h9H,2-7H2,1H3.
What are the key properties of 3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol?
3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol has a molecular weight of 176.21 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-dioxan-2-yl)oxy]propan-1-ol is sourced from PubChem (CID 158555947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).