3,3-dimethoxy-2,2,6,6-tetramethylheptane

C13H28O2 — CID 139690879

IUPAC3,3-dimethoxy-2,2,6,6-tetramethylheptane
SMILESCOC(CCC(C)(C)C)(OC)C(C)(C)C
InChIInChI=1S/C13H28O2/c1-11(2,3)9-10-13(14-7,15-8)12(4,5)6/h9-10H2,1-8H3
InChIKeyHKOCBGJBMFNPRR-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.85
Rot. Bonds4

About 3,3-dimethoxy-2,2,6,6-tetramethylheptane

3,3-dimethoxy-2,2,6,6-tetramethylheptane (PubChem CID 139690879) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3,3-dimethoxy-2,2,6,6-tetramethylheptane.

Molecular Properties

Compound Name3,3-dimethoxy-2,2,6,6-tetramethylheptane
PubChem CID139690879
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3,3-dimethoxy-2,2,6,6-tetramethylheptane
SMILESCOC(CCC(C)(C)C)(OC)C(C)(C)C
InChIInChI=1S/C13H28O2/c1-11(2,3)9-10-13(14-7,15-8)12(4,5)6/h9-10H2,1-8H3
InChIKeyHKOCBGJBMFNPRR-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.85
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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Related Compounds

ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
2,5,5-trimethylhexan-2-yl hypoiodite
CID 130279659
7,7-dimethyloctyl(trimethoxy)silane
CID 140817013
1,1-dimethoxy-2,5,5-trimethylhexan-2-ol
CID 66038611
2-methoxy-2,6,6-trimethylheptan-3-amine
CID 79198118
2-methoxy-2,6,6-trimethylheptan-3-one
CID 79196927
1,1,1-trimethoxy-3,3-dimethylbutane
CID 63890888
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
4-ethyl-7,7-dimethyloctan-4-ol
CID 59856312
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795
3,3-dimethyl-1-sulfanyloxybutane
CID 140639628

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2,2,6,6-tetramethylheptane?
The IUPAC name of 3,3-dimethoxy-2,2,6,6-tetramethylheptane (CID 139690879) is 3,3-dimethoxy-2,2,6,6-tetramethylheptane.
What is the SMILES notation for 3,3-dimethoxy-2,2,6,6-tetramethylheptane?
The canonical SMILES for 3,3-dimethoxy-2,2,6,6-tetramethylheptane is COC(CCC(C)(C)C)(OC)C(C)(C)C.
What is the InChIKey of 3,3-dimethoxy-2,2,6,6-tetramethylheptane?
The InChIKey is HKOCBGJBMFNPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-11(2,3)9-10-13(14-7,15-8)12(4,5)6/h9-10H2,1-8H3.
What are the key properties of 3,3-dimethoxy-2,2,6,6-tetramethylheptane?
3,3-dimethoxy-2,2,6,6-tetramethylheptane has a molecular weight of 216.36 g/mol, XLogP of 3.85, 4 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-tetramethylheptane is sourced from PubChem (CID 139690879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).