2,5-dimethylheptoxymethanol

C10H22O2 — CID 88543296

IUPAC2,5-dimethylheptoxymethanol
SMILESCCC(C)CCC(C)COCO
InChIInChI=1S/C10H22O2/c1-4-9(2)5-6-10(3)7-12-8-11/h9-11H,4-8H2,1-3H3
InChIKeyRRXLYCXOKJULKL-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.42
Rot. Bonds7

About 2,5-dimethylheptoxymethanol

2,5-dimethylheptoxymethanol (PubChem CID 88543296) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,5-dimethylheptoxymethanol.

Molecular Properties

Compound Name2,5-dimethylheptoxymethanol
PubChem CID88543296
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,5-dimethylheptoxymethanol
SMILESCCC(C)CCC(C)COCO
InChIInChI=1S/C10H22O2/c1-4-9(2)5-6-10(3)7-12-8-11/h9-11H,4-8H2,1-3H3
InChIKeyRRXLYCXOKJULKL-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,7-dimethylnonan-1-ol
CID 87272409
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
(3R,7R)-3,7-dimethylnonane
CID 42626759
2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol
CID 176653191
3-(14-methylhexadecoxy)propan-1-ol
CID 59379115
14-methylhexadecan-1-ol
CID 5283264
(7S)-7-methylnonan-1-ol
CID 11105641
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
(10S)-10-methyldodecan-1-ol
CID 11715372
1,4-diethoxy-2-methylbutane
CID 59899860
(11S)-11-methyltridecan-1-ol
CID 71389600
2-[2-[2-[2-(8-methyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176653038

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylheptoxymethanol?
The IUPAC name of 2,5-dimethylheptoxymethanol (CID 88543296) is 2,5-dimethylheptoxymethanol.
What is the SMILES notation for 2,5-dimethylheptoxymethanol?
The canonical SMILES for 2,5-dimethylheptoxymethanol is CCC(C)CCC(C)COCO.
What is the InChIKey of 2,5-dimethylheptoxymethanol?
The InChIKey is RRXLYCXOKJULKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-9(2)5-6-10(3)7-12-8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 2,5-dimethylheptoxymethanol?
2,5-dimethylheptoxymethanol has a molecular weight of 174.28 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylheptoxymethanol is sourced from PubChem (CID 88543296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).