2-methyl-2-propoxyhexane

C10H22O — CID 91043348

IUPAC2-methyl-2-propoxyhexane
SMILESCCCCC(C)(C)OCCC
InChIInChI=1S/C10H22O/c1-5-7-8-10(3,4)11-9-6-2/h5-9H2,1-4H3
InChIKeySHVHPULBUDLQIV-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.38
Rot. Bonds6

About 2-methyl-2-propoxyhexane

2-methyl-2-propoxyhexane (PubChem CID 91043348) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-methyl-2-propoxyhexane.

Molecular Properties

Compound Name2-methyl-2-propoxyhexane
PubChem CID91043348
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2-methyl-2-propoxyhexane
SMILESCCCCC(C)(C)OCCC
InChIInChI=1S/C10H22O/c1-5-7-8-10(3,4)11-9-6-2/h5-9H2,1-4H3
InChIKeySHVHPULBUDLQIV-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propoxyhexane?
The IUPAC name of 2-methyl-2-propoxyhexane (CID 91043348) is 2-methyl-2-propoxyhexane.
What is the SMILES notation for 2-methyl-2-propoxyhexane?
The canonical SMILES for 2-methyl-2-propoxyhexane is CCCCC(C)(C)OCCC.
What is the InChIKey of 2-methyl-2-propoxyhexane?
The InChIKey is SHVHPULBUDLQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-7-8-10(3,4)11-9-6-2/h5-9H2,1-4H3.
What are the key properties of 2-methyl-2-propoxyhexane?
2-methyl-2-propoxyhexane has a molecular weight of 158.28 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propoxyhexane is sourced from PubChem (CID 91043348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).