1-(3,7-dimethyloctan-4-yloxy)propan-2-ol

C13H28O2 — CID 142712664

IUPAC1-(3,7-dimethyloctan-4-yloxy)propan-2-ol
SMILESCCC(C)C(CCC(C)C)OCC(C)O
InChIInChI=1S/C13H28O2/c1-6-11(4)13(8-7-10(2)3)15-9-12(5)14/h10-14H,6-9H2,1-5H3
InChIKeyIVZDMJSOJSFEAK-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.23
Rot. Bonds8

About 1-(3,7-dimethyloctan-4-yloxy)propan-2-ol

1-(3,7-dimethyloctan-4-yloxy)propan-2-ol (PubChem CID 142712664) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 1-(3,7-dimethyloctan-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,7-dimethyloctan-4-yloxy)propan-2-ol
PubChem CID142712664
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name1-(3,7-dimethyloctan-4-yloxy)propan-2-ol
SMILESCCC(C)C(CCC(C)C)OCC(C)O
InChIInChI=1S/C13H28O2/c1-6-11(4)13(8-7-10(2)3)15-9-12(5)14/h10-14H,6-9H2,1-5H3
InChIKeyIVZDMJSOJSFEAK-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyloctan-4-yloxy)propan-2-ol
CID 142712331
1-(2,5-dimethylheptan-4-yloxy)propan-2-ol
CID 142712627
2-(3,7-dimethyloctan-4-yloxy)ethanol
CID 142712484
1-(2-methylpentan-3-yloxy)propan-2-ol
CID 142712408
(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
CID 118964156
1-heptan-4-yloxypropan-2-ol
CID 140681787
2-(2-hydroxypropoxy)hexan-3-ol
CID 22507183
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
pentakis(butan-2-ol);molybdenum
CID 152613437
tris(butan-2-ol);gallane
CID 175569742
ethane;5-methylhexan-2-ol
CID 144624886

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyloctan-4-yloxy)propan-2-ol?
The IUPAC name of 1-(3,7-dimethyloctan-4-yloxy)propan-2-ol (CID 142712664) is 1-(3,7-dimethyloctan-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-(3,7-dimethyloctan-4-yloxy)propan-2-ol?
The canonical SMILES for 1-(3,7-dimethyloctan-4-yloxy)propan-2-ol is CCC(C)C(CCC(C)C)OCC(C)O.
What is the InChIKey of 1-(3,7-dimethyloctan-4-yloxy)propan-2-ol?
The InChIKey is IVZDMJSOJSFEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-6-11(4)13(8-7-10(2)3)15-9-12(5)14/h10-14H,6-9H2,1-5H3.
What are the key properties of 1-(3,7-dimethyloctan-4-yloxy)propan-2-ol?
1-(3,7-dimethyloctan-4-yloxy)propan-2-ol has a molecular weight of 216.36 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyloctan-4-yloxy)propan-2-ol is sourced from PubChem (CID 142712664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).