1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol

C8H16O5 — CID 70487099

IUPAC1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol
SMILESCC1CC(O)(C(O)CO)OCCO1
InChIInChI=1S/C8H16O5/c1-6-4-8(11,7(10)5-9)13-3-2-12-6/h6-7,9-11H,2-5H2,1H3
InChIKeyYRAARYUCMLZCHN-UHFFFAOYSA-N
MW192.21 g/mol
LogP-1.15
Rot. Bonds2

About 1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol

1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol (PubChem CID 70487099) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol
PubChem CID70487099
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol
SMILESCC1CC(O)(C(O)CO)OCCO1
InChIInChI=1S/C8H16O5/c1-6-4-8(11,7(10)5-9)13-3-2-12-6/h6-7,9-11H,2-5H2,1H3
InChIKeyYRAARYUCMLZCHN-UHFFFAOYSA-N
XLogP-1.15
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[[5-(1,2-dihydroxyethyl)-7-methyl-1,4-dioxepan-5-yl]oxy]-7-methyl-1,4-dioxepan-5-yl]ethane-1,2-diol
CID 68572689
[(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol
CID 142391496
bis(2-methyloxirane);(2R)-propane-1,2-diol;hydrate
CID 159169454
4-(1-aminopropan-2-yl)-2-methyloxan-4-ol
CID 79126205
2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol
CID 126999258
4-ethynyl-2-methyloxan-4-ol
CID 45079336
hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane
CID 174373260
3-[(2-methyloxan-4-yl)amino]propane-1,2-diol
CID 66177607
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol
CID 86098194
2-(1,3-dioxolan-2-ylmethyl)propane-1,3-diol
CID 54397027
(2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 130875054
acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol
CID 68668361

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol?
The IUPAC name of 1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol (CID 70487099) is 1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol?
The canonical SMILES for 1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol is CC1CC(O)(C(O)CO)OCCO1.
What is the InChIKey of 1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol?
The InChIKey is YRAARYUCMLZCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c1-6-4-8(11,7(10)5-9)13-3-2-12-6/h6-7,9-11H,2-5H2,1H3.
What are the key properties of 1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol?
1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol has a molecular weight of 192.21 g/mol, XLogP of -1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol is sourced from PubChem (CID 70487099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).