2-heptan-3-yloxyethanol

C9H20O2 — CID 24989

IUPAC2-heptan-3-yloxyethanol
SMILESCCCCC(CC)OCCO
InChIInChI=1S/C9H20O2/c1-3-5-6-9(4-2)11-8-7-10/h9-10H,3-8H2,1-2H3
InChIKeyBITOXCKNAKLGLN-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.96
Rot. Bonds7

About 2-heptan-3-yloxyethanol

2-heptan-3-yloxyethanol (PubChem CID 24989) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-heptan-3-yloxyethanol.

Molecular Properties

Compound Name2-heptan-3-yloxyethanol
PubChem CID24989
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2-heptan-3-yloxyethanol
SMILESCCCCC(CC)OCCO
InChIInChI=1S/C9H20O2/c1-3-5-6-9(4-2)11-8-7-10/h9-10H,3-8H2,1-2H3
InChIKeyBITOXCKNAKLGLN-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Glycol monohexyl ether
CID 8170
2-(Dodecyloxy)ethanol
CID 24750
Diethylene glycol monohexyl ether
CID 8199
Dipropylene glycol n-butyl ether
CID 24752
1-(2-Butoxyethoxy)-2-propanol
CID 31287
3-Hexyloxypropylene glycol
CID 11229094
Octyl-sepharose CL-4B
CID 112041
Triethylene glycol hexyl ether
CID 94362
2-(Decyloxy)ethanol
CID 62806
2-(Octyloxy)ethanol
CID 82296
2-Nonoxyethanol
CID 94495
1-Propanol, 2-(dodecyloxy)-
CID 9834713

Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-yloxyethanol?
The IUPAC name of 2-heptan-3-yloxyethanol (CID 24989) is 2-heptan-3-yloxyethanol.
What is the SMILES notation for 2-heptan-3-yloxyethanol?
The canonical SMILES for 2-heptan-3-yloxyethanol is CCCCC(CC)OCCO.
What is the InChIKey of 2-heptan-3-yloxyethanol?
The InChIKey is BITOXCKNAKLGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-5-6-9(4-2)11-8-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-heptan-3-yloxyethanol?
2-heptan-3-yloxyethanol has a molecular weight of 160.26 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-yloxyethanol is sourced from PubChem (CID 24989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).