1-ethenoxy-3,3-dimethylheptane

C11H22O — CID 123804300

IUPAC1-ethenoxy-3,3-dimethylheptane
SMILESC=COCCC(C)(C)CCCC
InChIInChI=1S/C11H22O/c1-5-7-8-11(3,4)9-10-12-6-2/h6H,2,5,7-10H2,1,3-4H3
InChIKeyNBJQZNBNJDJDEY-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.75
Rot. Bonds7

About 1-ethenoxy-3,3-dimethylheptane

1-ethenoxy-3,3-dimethylheptane (PubChem CID 123804300) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-ethenoxy-3,3-dimethylheptane.

Molecular Properties

Compound Name1-ethenoxy-3,3-dimethylheptane
PubChem CID123804300
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-ethenoxy-3,3-dimethylheptane
SMILESC=COCCC(C)(C)CCCC
InChIInChI=1S/C11H22O/c1-5-7-8-11(3,4)9-10-12-6-2/h6H,2,5,7-10H2,1,3-4H3
InChIKeyNBJQZNBNJDJDEY-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethylhexyl vinyl ether
CID 61004
Isooctane, (ethenyloxy)-
CID 296393
Ether, 2,6,8-trimethylnonyl vinyl
CID 25002
7-Ethenoxy-1,1,1,2-tetrafluoro-2,4,4-trimethylheptane
CID 169989576
1-Ethenoxy-3,7-dimethyloctane
CID 101959415
(4S)-1-ethenoxy-4-methylhexane
CID 170848615
1-Ethenoxy-3,5,5-trimethylhexane
CID 18387002
1-Ethenoxy-2,2-dimethyldodecane
CID 19077766
1-Ethenoxy-2,2-dimethyltetradecane
CID 19077767
1-Ethenoxy-2,2-dimethyloctane
CID 19077771
1-Ethenoxy-2,2-dimethylhexane
CID 19077776
1-Ethenoxy-2,2-dimethyldecane
CID 19077777

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3,3-dimethylheptane?
The IUPAC name of 1-ethenoxy-3,3-dimethylheptane (CID 123804300) is 1-ethenoxy-3,3-dimethylheptane.
What is the SMILES notation for 1-ethenoxy-3,3-dimethylheptane?
The canonical SMILES for 1-ethenoxy-3,3-dimethylheptane is C=COCCC(C)(C)CCCC.
What is the InChIKey of 1-ethenoxy-3,3-dimethylheptane?
The InChIKey is NBJQZNBNJDJDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-7-8-11(3,4)9-10-12-6-2/h6H,2,5,7-10H2,1,3-4H3.
What are the key properties of 1-ethenoxy-3,3-dimethylheptane?
1-ethenoxy-3,3-dimethylheptane has a molecular weight of 170.30 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3,3-dimethylheptane is sourced from PubChem (CID 123804300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).