1,2-bis(2-methylbutoxy)hexane

C16H34O2 — CID 71465095

IUPAC1,2-bis(2-methylbutoxy)hexane
SMILESCCCCC(COCC(C)CC)OCC(C)CC
InChIInChI=1S/C16H34O2/c1-6-9-10-16(18-12-15(5)8-3)13-17-11-14(4)7-2/h14-16H,6-13H2,1-5H3
InChIKeyOBMCRKDCYJEJOZ-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.67
Rot. Bonds12

About 1,2-bis(2-methylbutoxy)hexane

1,2-bis(2-methylbutoxy)hexane (PubChem CID 71465095) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1,2-bis(2-methylbutoxy)hexane.

Molecular Properties

Compound Name1,2-bis(2-methylbutoxy)hexane
PubChem CID71465095
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name1,2-bis(2-methylbutoxy)hexane
SMILESCCCCC(COCC(C)CC)OCC(C)CC
InChIInChI=1S/C16H34O2/c1-6-9-10-16(18-12-15(5)8-3)13-17-11-14(4)7-2/h14-16H,6-13H2,1-5H3
InChIKeyOBMCRKDCYJEJOZ-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methylbutoxy)butane
CID 4584641
2-methyl-1-pentan-3-yloxybutane
CID 23377308
3-methylheptane;nickel
CID 158967838
1,2-dibutoxyhexane
CID 19805858
3-methylheptane;octane
CID 144782281
(3R,6S)-3,6-dimethyldecane
CID 170848353
calcium;hydride;3-methylheptane
CID 174879723
ethylperoxyethane;3-methylheptane
CID 161352622
1-(1-butoxyethoxy)-2-methylbutane
CID 90476041
1-dodecoxydodecane;3-methylheptane
CID 174412934
3-(heptan-3-yloxymethyl)heptane
CID 90211738
methane;3-methoxyheptane;1-methoxy-2-methylhexane
CID 162176457

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylbutoxy)hexane?
The IUPAC name of 1,2-bis(2-methylbutoxy)hexane (CID 71465095) is 1,2-bis(2-methylbutoxy)hexane.
What is the SMILES notation for 1,2-bis(2-methylbutoxy)hexane?
The canonical SMILES for 1,2-bis(2-methylbutoxy)hexane is CCCCC(COCC(C)CC)OCC(C)CC.
What is the InChIKey of 1,2-bis(2-methylbutoxy)hexane?
The InChIKey is OBMCRKDCYJEJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-6-9-10-16(18-12-15(5)8-3)13-17-11-14(4)7-2/h14-16H,6-13H2,1-5H3.
What are the key properties of 1,2-bis(2-methylbutoxy)hexane?
1,2-bis(2-methylbutoxy)hexane has a molecular weight of 258.45 g/mol, XLogP of 4.67, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylbutoxy)hexane is sourced from PubChem (CID 71465095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).