2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane

C14H26O — CID 22712633

IUPAC2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane
SMILESC=CCC(C)(C)CC(C)(C)CC1(C)CO1
InChIInChI=1S/C14H26O/c1-7-8-12(2,3)9-13(4,5)10-14(6)11-15-14/h7H,1,8-11H2,2-6H3
InChIKeyQLTOZCYMHKUAMK-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.18
Rot. Bonds6

About 2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane

2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane (PubChem CID 22712633) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane
PubChem CID22712633
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane
SMILESC=CCC(C)(C)CC(C)(C)CC1(C)CO1
InChIInChI=1S/C14H26O/c1-7-8-12(2,3)9-13(4,5)10-14(6)11-15-14/h7H,1,8-11H2,2-6H3
InChIKeyQLTOZCYMHKUAMK-UHFFFAOYSA-N
XLogP4.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 135084042
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CID 135084237
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CID 6432846
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CID 86072221
CID 86072221
CID 86072239
CID 86072239
CID 17825066
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CID 17825193
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CID 17825215
CID 17825215

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane?
The IUPAC name of 2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane (CID 22712633) is 2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane.
What is the SMILES notation for 2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane?
The canonical SMILES for 2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane is C=CCC(C)(C)CC(C)(C)CC1(C)CO1.
What is the InChIKey of 2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane?
The InChIKey is QLTOZCYMHKUAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-7-8-12(2,3)9-13(4,5)10-14(6)11-15-14/h7H,1,8-11H2,2-6H3.
What are the key properties of 2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane?
2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane has a molecular weight of 210.36 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane is sourced from PubChem (CID 22712633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).