3,6-di(propan-2-yloxy)octane

C14H30O2 — CID 175258426

IUPAC3,6-di(propan-2-yloxy)octane
SMILESCCC(CCC(CC)OC(C)C)OC(C)C
InChIInChI=1S/C14H30O2/c1-7-13(15-11(3)4)9-10-14(8-2)16-12(5)6/h11-14H,7-10H2,1-6H3
InChIKeyQRLGPEGBKJUEIC-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.17
Rot. Bonds9

About 3,6-di(propan-2-yloxy)octane

3,6-di(propan-2-yloxy)octane (PubChem CID 175258426) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3,6-di(propan-2-yloxy)octane.

Molecular Properties

Compound Name3,6-di(propan-2-yloxy)octane
PubChem CID175258426
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name3,6-di(propan-2-yloxy)octane
SMILESCCC(CCC(CC)OC(C)C)OC(C)C
InChIInChI=1S/C14H30O2/c1-7-13(15-11(3)4)9-10-14(8-2)16-12(5)6/h11-14H,7-10H2,1-6H3
InChIKeyQRLGPEGBKJUEIC-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-2-propan-2-yloxybutan-1-amine
CID 62455206
2-propan-2-yloxybutoxyphosphinous acid
CID 144871549
2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane
CID 160593936
2-propan-2-yloxybutyl methanesulfonate
CID 160973482
2-pentan-3-yloxypentane
CID 91256227
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine
CID 170569460
1,2-di(propan-2-yloxy)hexane
CID 71465189
3-(1-methoxyethoxy)hexane
CID 145051636
2-methyl-10-(11-methyldodecan-3-yloxy)dodecane
CID 158091351
1-butoxy-3-propan-2-yloxybutane
CID 173255179

Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yloxy)octane?
The IUPAC name of 3,6-di(propan-2-yloxy)octane (CID 175258426) is 3,6-di(propan-2-yloxy)octane.
What is the SMILES notation for 3,6-di(propan-2-yloxy)octane?
The canonical SMILES for 3,6-di(propan-2-yloxy)octane is CCC(CCC(CC)OC(C)C)OC(C)C.
What is the InChIKey of 3,6-di(propan-2-yloxy)octane?
The InChIKey is QRLGPEGBKJUEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-7-13(15-11(3)4)9-10-14(8-2)16-12(5)6/h11-14H,7-10H2,1-6H3.
What are the key properties of 3,6-di(propan-2-yloxy)octane?
3,6-di(propan-2-yloxy)octane has a molecular weight of 230.39 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yloxy)octane is sourced from PubChem (CID 175258426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).