3,7-bis(1,4-dioxan-2-yl)octan-1-ol

C16H30O5 — CID 174444862

IUPAC3,7-bis(1,4-dioxan-2-yl)octan-1-ol
SMILESCC(CCCC(CCO)C1COCCO1)C1COCCO1
InChIInChI=1S/C16H30O5/c1-13(15-11-18-7-9-20-15)3-2-4-14(5-6-17)16-12-19-8-10-21-16/h13-17H,2-12H2,1H3
InChIKeyAVFXHBWEMQZNPX-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.62
Rot. Bonds8

About 3,7-bis(1,4-dioxan-2-yl)octan-1-ol

3,7-bis(1,4-dioxan-2-yl)octan-1-ol (PubChem CID 174444862) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is 3,7-bis(1,4-dioxan-2-yl)octan-1-ol.

Molecular Properties

Compound Name3,7-bis(1,4-dioxan-2-yl)octan-1-ol
PubChem CID174444862
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name3,7-bis(1,4-dioxan-2-yl)octan-1-ol
SMILESCC(CCCC(CCO)C1COCCO1)C1COCCO1
InChIInChI=1S/C16H30O5/c1-13(15-11-18-7-9-20-15)3-2-4-14(5-6-17)16-12-19-8-10-21-16/h13-17H,2-12H2,1H3
InChIKeyAVFXHBWEMQZNPX-UHFFFAOYSA-N
XLogP1.62
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,7-bis(1,4-dioxan-2-yl)octan-1-ol?
The IUPAC name of 3,7-bis(1,4-dioxan-2-yl)octan-1-ol (CID 174444862) is 3,7-bis(1,4-dioxan-2-yl)octan-1-ol.
What is the SMILES notation for 3,7-bis(1,4-dioxan-2-yl)octan-1-ol?
The canonical SMILES for 3,7-bis(1,4-dioxan-2-yl)octan-1-ol is CC(CCCC(CCO)C1COCCO1)C1COCCO1.
What is the InChIKey of 3,7-bis(1,4-dioxan-2-yl)octan-1-ol?
The InChIKey is AVFXHBWEMQZNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-13(15-11-18-7-9-20-15)3-2-4-14(5-6-17)16-12-19-8-10-21-16/h13-17H,2-12H2,1H3.
What are the key properties of 3,7-bis(1,4-dioxan-2-yl)octan-1-ol?
3,7-bis(1,4-dioxan-2-yl)octan-1-ol has a molecular weight of 302.41 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(1,4-dioxan-2-yl)octan-1-ol is sourced from PubChem (CID 174444862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).