3,3-dimethoxy-2,2,6,6-tetramethyloctane

C14H30O2 — CID 139690869

IUPAC3,3-dimethoxy-2,2,6,6-tetramethyloctane
SMILESCCC(C)(C)CCC(OC)(OC)C(C)(C)C
InChIInChI=1S/C14H30O2/c1-9-13(5,6)10-11-14(15-7,16-8)12(2,3)4/h9-11H2,1-8H3
InChIKeySWIBGFLPVCPAPZ-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.24
Rot. Bonds6

About 3,3-dimethoxy-2,2,6,6-tetramethyloctane

3,3-dimethoxy-2,2,6,6-tetramethyloctane (PubChem CID 139690869) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3,3-dimethoxy-2,2,6,6-tetramethyloctane.

Molecular Properties

Compound Name3,3-dimethoxy-2,2,6,6-tetramethyloctane
PubChem CID139690869
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name3,3-dimethoxy-2,2,6,6-tetramethyloctane
SMILESCCC(C)(C)CCC(OC)(OC)C(C)(C)C
InChIInChI=1S/C14H30O2/c1-9-13(5,6)10-11-14(15-7,16-8)12(2,3)4/h9-11H2,1-8H3
InChIKeySWIBGFLPVCPAPZ-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2,2,6,6-tetramethyloctane?
The IUPAC name of 3,3-dimethoxy-2,2,6,6-tetramethyloctane (CID 139690869) is 3,3-dimethoxy-2,2,6,6-tetramethyloctane.
What is the SMILES notation for 3,3-dimethoxy-2,2,6,6-tetramethyloctane?
The canonical SMILES for 3,3-dimethoxy-2,2,6,6-tetramethyloctane is CCC(C)(C)CCC(OC)(OC)C(C)(C)C.
What is the InChIKey of 3,3-dimethoxy-2,2,6,6-tetramethyloctane?
The InChIKey is SWIBGFLPVCPAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-9-13(5,6)10-11-14(15-7,16-8)12(2,3)4/h9-11H2,1-8H3.
What are the key properties of 3,3-dimethoxy-2,2,6,6-tetramethyloctane?
3,3-dimethoxy-2,2,6,6-tetramethyloctane has a molecular weight of 230.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2,2,6,6-tetramethyloctane is sourced from PubChem (CID 139690869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).