3-(propan-2-yloxymethyl)heptane

C11H24O — CID 3023970

IUPAC3-(propan-2-yloxymethyl)heptane
SMILESCCCCC(CC)COC(C)C
InChIInChI=1S/C11H24O/c1-5-7-8-11(6-2)9-12-10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyGQQHEKOOHGFEED-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds7

About 3-(propan-2-yloxymethyl)heptane

3-(propan-2-yloxymethyl)heptane (PubChem CID 3023970) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)heptane.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)heptane
PubChem CID3023970
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3-(propan-2-yloxymethyl)heptane
SMILESCCCCC(CC)COC(C)C
InChIInChI=1S/C11H24O/c1-5-7-8-11(6-2)9-12-10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyGQQHEKOOHGFEED-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)heptane?
The IUPAC name of 3-(propan-2-yloxymethyl)heptane (CID 3023970) is 3-(propan-2-yloxymethyl)heptane.
What is the SMILES notation for 3-(propan-2-yloxymethyl)heptane?
The canonical SMILES for 3-(propan-2-yloxymethyl)heptane is CCCCC(CC)COC(C)C.
What is the InChIKey of 3-(propan-2-yloxymethyl)heptane?
The InChIKey is GQQHEKOOHGFEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-5-7-8-11(6-2)9-12-10(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-(propan-2-yloxymethyl)heptane?
3-(propan-2-yloxymethyl)heptane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)heptane is sourced from PubChem (CID 3023970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).