1,1-dimethoxy-2,2-dimethylheptane

C11H24O2 — CID 173169063

IUPAC1,1-dimethoxy-2,2-dimethylheptane
SMILESCCCCCC(C)(C)C(OC)OC
InChIInChI=1S/C11H24O2/c1-6-7-8-9-11(2,3)10(12-4)13-5/h10H,6-9H2,1-5H3
InChIKeyXSTWEIVHPBNBIS-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.21
Rot. Bonds7

About 1,1-dimethoxy-2,2-dimethylheptane

1,1-dimethoxy-2,2-dimethylheptane (PubChem CID 173169063) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,1-dimethoxy-2,2-dimethylheptane.

Molecular Properties

Compound Name1,1-dimethoxy-2,2-dimethylheptane
PubChem CID173169063
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1,1-dimethoxy-2,2-dimethylheptane
SMILESCCCCCC(C)(C)C(OC)OC
InChIInChI=1S/C11H24O2/c1-6-7-8-9-11(2,3)10(12-4)13-5/h10H,6-9H2,1-5H3
InChIKeyXSTWEIVHPBNBIS-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethoxymethyl)-5-methylundecane
CID 139546819
1,1-dimethoxy-2-methylheptan-2-ol
CID 66038845
1,1,2,2-tetramethoxyoctane
CID 15697911
ethane;2,3,3-trimethyloctane
CID 142049944
2,3,3-trimethyloctadecane
CID 90966938
2,2,4,4-tetramethyl-3-propan-2-ylnonane
CID 21202923
dimethyl 2-(2-methyloctan-2-yl)propanedioate
CID 137470505
3,3-dimethylnonan-2-ol
CID 19931299
11-(2-methylheptan-2-yl)docosane
CID 57252514
3,3-dimethyldecan-2-ol
CID 87975868
2,2-dibutoxy-1-(2,2-dibutoxy-1-methoxytetradecoxy)-1-methoxytetradecane
CID 175166358
4,4-dimethylhexadecan-3-ol
CID 168719984

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2,2-dimethylheptane?
The IUPAC name of 1,1-dimethoxy-2,2-dimethylheptane (CID 173169063) is 1,1-dimethoxy-2,2-dimethylheptane.
What is the SMILES notation for 1,1-dimethoxy-2,2-dimethylheptane?
The canonical SMILES for 1,1-dimethoxy-2,2-dimethylheptane is CCCCCC(C)(C)C(OC)OC.
What is the InChIKey of 1,1-dimethoxy-2,2-dimethylheptane?
The InChIKey is XSTWEIVHPBNBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-7-8-9-11(2,3)10(12-4)13-5/h10H,6-9H2,1-5H3.
What are the key properties of 1,1-dimethoxy-2,2-dimethylheptane?
1,1-dimethoxy-2,2-dimethylheptane has a molecular weight of 188.31 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2,2-dimethylheptane is sourced from PubChem (CID 173169063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).