4,4-dimethyl-2-propan-2-yloxyheptane

C12H26O — CID 123988910

IUPAC4,4-dimethyl-2-propan-2-yloxyheptane
SMILESCCCC(C)(C)CC(C)OC(C)C
InChIInChI=1S/C12H26O/c1-7-8-12(5,6)9-11(4)13-10(2)3/h10-11H,7-9H2,1-6H3
InChIKeyCMTDDEDIKMUYPO-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds6

About 4,4-dimethyl-2-propan-2-yloxyheptane

4,4-dimethyl-2-propan-2-yloxyheptane (PubChem CID 123988910) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-propan-2-yloxyheptane.

Molecular Properties

Compound Name4,4-dimethyl-2-propan-2-yloxyheptane
PubChem CID123988910
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name4,4-dimethyl-2-propan-2-yloxyheptane
SMILESCCCC(C)(C)CC(C)OC(C)C
InChIInChI=1S/C12H26O/c1-7-8-12(5,6)9-11(4)13-10(2)3/h10-11H,7-9H2,1-6H3
InChIKeyCMTDDEDIKMUYPO-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-propan-2-yloxyheptane?
The IUPAC name of 4,4-dimethyl-2-propan-2-yloxyheptane (CID 123988910) is 4,4-dimethyl-2-propan-2-yloxyheptane.
What is the SMILES notation for 4,4-dimethyl-2-propan-2-yloxyheptane?
The canonical SMILES for 4,4-dimethyl-2-propan-2-yloxyheptane is CCCC(C)(C)CC(C)OC(C)C.
What is the InChIKey of 4,4-dimethyl-2-propan-2-yloxyheptane?
The InChIKey is CMTDDEDIKMUYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-7-8-12(5,6)9-11(4)13-10(2)3/h10-11H,7-9H2,1-6H3.
What are the key properties of 4,4-dimethyl-2-propan-2-yloxyheptane?
4,4-dimethyl-2-propan-2-yloxyheptane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-propan-2-yloxyheptane is sourced from PubChem (CID 123988910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).