3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol

C13H26O3 — CID 72760805

IUPAC3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol
SMILESCC(CCO)CC(C)COC1CCCCO1
InChIInChI=1S/C13H26O3/c1-11(6-7-14)9-12(2)10-16-13-5-3-4-8-15-13/h11-14H,3-10H2,1-2H3
InChIKeyJKSMXXDRTNDAJC-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.57
Rot. Bonds7

About 3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol

3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol (PubChem CID 72760805) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol
PubChem CID72760805
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol
SMILESCC(CCO)CC(C)COC1CCCCO1
InChIInChI=1S/C13H26O3/c1-11(6-7-14)9-12(2)10-16-13-5-3-4-8-15-13/h11-14H,3-10H2,1-2H3
InChIKeyJKSMXXDRTNDAJC-UHFFFAOYSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol?
The IUPAC name of 3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol (CID 72760805) is 3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol?
The canonical SMILES for 3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol is CC(CCO)CC(C)COC1CCCCO1.
What is the InChIKey of 3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol?
The InChIKey is JKSMXXDRTNDAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-11(6-7-14)9-12(2)10-16-13-5-3-4-8-15-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol?
3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-(oxan-2-yloxy)hexan-1-ol is sourced from PubChem (CID 72760805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).