1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane

C15H28O — CID 71217404

IUPAC1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane
SMILESCC(C)C(C)OC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H28O/c1-10(2)11(3)16-13-14(4,5)12-7-8-15(13,6)9-12/h10-13H,7-9H2,1-6H3
InChIKeyMKPVPKAPKPCAGD-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.26
Rot. Bonds3

About 1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane

1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane (PubChem CID 71217404) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane
PubChem CID71217404
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane
SMILESCC(C)C(C)OC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H28O/c1-10(2)11(3)16-13-14(4,5)12-7-8-15(13,6)9-12/h10-13H,7-9H2,1-6H3
InChIKeyMKPVPKAPKPCAGD-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane?
The IUPAC name of 1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane (CID 71217404) is 1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane.
What is the SMILES notation for 1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane?
The canonical SMILES for 1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane is CC(C)C(C)OC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane?
The InChIKey is MKPVPKAPKPCAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-10(2)11(3)16-13-14(4,5)12-7-8-15(13,6)9-12/h10-13H,7-9H2,1-6H3.
What are the key properties of 1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane?
1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane has a molecular weight of 224.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane is sourced from PubChem (CID 71217404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).