1,3-bis(oxan-2-yl)butan-1-ol

C14H26O3 — CID 173130770

IUPAC1,3-bis(oxan-2-yl)butan-1-ol
SMILESCC(CC(O)C1CCCCO1)C1CCCCO1
InChIInChI=1S/C14H26O3/c1-11(13-6-2-4-8-16-13)10-12(15)14-7-3-5-9-17-14/h11-15H,2-10H2,1H3
InChIKeySTXLYOLFMXJEOS-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.51
Rot. Bonds4

About 1,3-bis(oxan-2-yl)butan-1-ol

1,3-bis(oxan-2-yl)butan-1-ol (PubChem CID 173130770) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1,3-bis(oxan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1,3-bis(oxan-2-yl)butan-1-ol
PubChem CID173130770
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1,3-bis(oxan-2-yl)butan-1-ol
SMILESCC(CC(O)C1CCCCO1)C1CCCCO1
InChIInChI=1S/C14H26O3/c1-11(13-6-2-4-8-16-13)10-12(15)14-7-3-5-9-17-14/h11-15H,2-10H2,1H3
InChIKeySTXLYOLFMXJEOS-UHFFFAOYSA-N
XLogP2.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489
(2R)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 124662505
N-[1,3-bis(oxan-2-yl)butyl]-1,3-bis(oxan-2-yl)butan-1-amine
CID 173131029
3-iodo-1-(oxan-2-yl)propan-1-ol
CID 57165332
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190
1-(oxan-2-yl)propane-1,3-diol
CID 57060644
2-heptan-2-yloxane
CID 67835602
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal
CID 174771936
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
bis(oxan-2-yl)methanol
CID 173021788

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(oxan-2-yl)butan-1-ol?
The IUPAC name of 1,3-bis(oxan-2-yl)butan-1-ol (CID 173130770) is 1,3-bis(oxan-2-yl)butan-1-ol.
What is the SMILES notation for 1,3-bis(oxan-2-yl)butan-1-ol?
The canonical SMILES for 1,3-bis(oxan-2-yl)butan-1-ol is CC(CC(O)C1CCCCO1)C1CCCCO1.
What is the InChIKey of 1,3-bis(oxan-2-yl)butan-1-ol?
The InChIKey is STXLYOLFMXJEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-11(13-6-2-4-8-16-13)10-12(15)14-7-3-5-9-17-14/h11-15H,2-10H2,1H3.
What are the key properties of 1,3-bis(oxan-2-yl)butan-1-ol?
1,3-bis(oxan-2-yl)butan-1-ol has a molecular weight of 242.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(oxan-2-yl)butan-1-ol is sourced from PubChem (CID 173130770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).