3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane

C14H30O2 — CID 121371921

IUPAC3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane
SMILESCCCC(OC(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30O2/c1-9-10-11(13(2,3)4)16-12(15-8)14(5,6)7/h11-12H,9-10H2,1-8H3
InChIKeyWOXJVDRUJPTRBS-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.24
Rot. Bonds5

About 3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane

3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane (PubChem CID 121371921) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane.

Molecular Properties

Compound Name3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane
PubChem CID121371921
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane
SMILESCCCC(OC(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30O2/c1-9-10-11(13(2,3)4)16-12(15-8)14(5,6)7/h11-12H,9-10H2,1-8H3
InChIKeyWOXJVDRUJPTRBS-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

ethane;3-methoxy-2-methylhexan-2-ol
CID 171072389
3-[amino(dimethoxy)silyl]oxy-2,2-dimethylhexane
CID 175474612
2-[(3R)-2,2-dimethylhexan-3-yl]oxy-N,N-dimethylethanamine
CID 166870396
2,2-dimethylhexan-3-yloxy(diphenyl)silane
CID 173016744
(3R)-2,2-dimethylhexan-3-ol
CID 7004855
2,2-dimethylhexan-3-yl N-methylcarbamate
CID 175749324
3-butan-2-yloxy-2,2-dimethylundecane
CID 150049525
3-(1-methoxy-2,2-dimethylpropoxy)-2,4,4-trimethylpent-1-ene
CID 121371615
3-(2,2-dimethyloctan-3-ylperoxy)-2,2-dimethyloctane
CID 175062921
3-tert-butyl-2,2-dimethylhexane
CID 53428784
3-methoxy-2-methylhexane
CID 23384964
3-methoxy-2,2,5,5-tetramethylhexane
CID 12756025

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane?
The IUPAC name of 3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane (CID 121371921) is 3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane.
What is the SMILES notation for 3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane?
The canonical SMILES for 3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane is CCCC(OC(OC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane?
The InChIKey is WOXJVDRUJPTRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-9-10-11(13(2,3)4)16-12(15-8)14(5,6)7/h11-12H,9-10H2,1-8H3.
What are the key properties of 3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane?
3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane has a molecular weight of 230.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane is sourced from PubChem (CID 121371921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).