2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane

C10H18O2 — CID 59422040

IUPAC2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane
SMILESC=C(OCC1CO1)C(C)(C)CC
InChIInChI=1S/C10H18O2/c1-5-10(3,4)8(2)11-6-9-7-12-9/h9H,2,5-7H2,1,3-4H3
InChIKeyKBZLZJWOPIPPCT-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds5

About 2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane

2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane (PubChem CID 59422040) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane
PubChem CID59422040
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane
SMILESC=C(OCC1CO1)C(C)(C)CC
InChIInChI=1S/C10H18O2/c1-5-10(3,4)8(2)11-6-9-7-12-9/h9H,2,5-7H2,1,3-4H3
InChIKeyKBZLZJWOPIPPCT-UHFFFAOYSA-N
XLogP2.35
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3-Dimethylpent-1-en-2-yloxymethoxymethyl)oxirane
CID 58392032
2-[2-(3,3-Dimethylpent-1-en-2-yloxy)ethyl]oxirane
CID 126653744
2-[2-(2-Methoxyethoxy)ethoxy]-3,3,4,4-tetramethylpent-1-ene
CID 134290095
1-(3,3-Dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane
CID 142574604
2-(3,3-Dimethylbut-1-en-2-yloxymethyl)oxirane
CID 157093919
1-(3,3-Dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane
CID 142574605

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane?
The IUPAC name of 2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane (CID 59422040) is 2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane is C=C(OCC1CO1)C(C)(C)CC.
What is the InChIKey of 2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane?
The InChIKey is KBZLZJWOPIPPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(3,4)8(2)11-6-9-7-12-9/h9H,2,5-7H2,1,3-4H3.
What are the key properties of 2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane?
2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane is sourced from PubChem (CID 59422040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).