1,1-dimethoxy-4,5,6,6-tetramethyloctane

C14H30O2 — CID 58798061

IUPAC1,1-dimethoxy-4,5,6,6-tetramethyloctane
SMILESCCC(C)(C)C(C)C(C)CCC(OC)OC
InChIInChI=1S/C14H30O2/c1-8-14(4,5)12(3)11(2)9-10-13(15-6)16-7/h11-13H,8-10H2,1-7H3
InChIKeyHCWGZTDGCOBQEL-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.09
Rot. Bonds8

About 1,1-dimethoxy-4,5,6,6-tetramethyloctane

1,1-dimethoxy-4,5,6,6-tetramethyloctane (PubChem CID 58798061) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1,1-dimethoxy-4,5,6,6-tetramethyloctane.

Molecular Properties

Compound Name1,1-dimethoxy-4,5,6,6-tetramethyloctane
PubChem CID58798061
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name1,1-dimethoxy-4,5,6,6-tetramethyloctane
SMILESCCC(C)(C)C(C)C(C)CCC(OC)OC
InChIInChI=1S/C14H30O2/c1-8-14(4,5)12(3)11(2)9-10-13(15-6)16-7/h11-13H,8-10H2,1-7H3
InChIKeyHCWGZTDGCOBQEL-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.09
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 1,1-dimethoxy-4,5,6,6-tetramethyloctane?
The IUPAC name of 1,1-dimethoxy-4,5,6,6-tetramethyloctane (CID 58798061) is 1,1-dimethoxy-4,5,6,6-tetramethyloctane.
What is the SMILES notation for 1,1-dimethoxy-4,5,6,6-tetramethyloctane?
The canonical SMILES for 1,1-dimethoxy-4,5,6,6-tetramethyloctane is CCC(C)(C)C(C)C(C)CCC(OC)OC.
What is the InChIKey of 1,1-dimethoxy-4,5,6,6-tetramethyloctane?
The InChIKey is HCWGZTDGCOBQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-8-14(4,5)12(3)11(2)9-10-13(15-6)16-7/h11-13H,8-10H2,1-7H3.
What are the key properties of 1,1-dimethoxy-4,5,6,6-tetramethyloctane?
1,1-dimethoxy-4,5,6,6-tetramethyloctane has a molecular weight of 230.39 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-4,5,6,6-tetramethyloctane is sourced from PubChem (CID 58798061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).