2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane

C19H30O2 — CID 144895913

IUPAC2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane
SMILESCC(C)CC(c1ccc(COCC2CO2)cc1)C(C)(C)C
InChIInChI=1S/C19H30O2/c1-14(2)10-18(19(3,4)5)16-8-6-15(7-9-16)11-20-12-17-13-21-17/h6-9,14,17-18H,10-13H2,1-5H3
InChIKeyOHMFBUBEMUMNBO-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.78
Rot. Bonds7

About 2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane

2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane (PubChem CID 144895913) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane
PubChem CID144895913
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane
SMILESCC(C)CC(c1ccc(COCC2CO2)cc1)C(C)(C)C
InChIInChI=1S/C19H30O2/c1-14(2)10-18(19(3,4)5)16-8-6-15(7-9-16)11-20-12-17-13-21-17/h6-9,14,17-18H,10-13H2,1-5H3
InChIKeyOHMFBUBEMUMNBO-UHFFFAOYSA-N
XLogP4.78
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(2,2-dimethylhexan-3-yl)phenyl]methoxymethyl]oxirane
CID 144772257
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
(2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane
CID 97180094
4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22107305
2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
CID 22561280
2-[[4-(2,2,4,4-tetramethylpentan-3-yl)phenoxy]methyl]oxirane
CID 123506072
2-[[4-(2,5,5-trimethylhexan-3-yl)phenoxy]methyl]oxirane
CID 123926439
1-[4-(ethoxymethyl)phenyl]-2-(oxiran-2-yl)ethanol
CID 87930399
2-[[4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenyl]methoxymethyl]oxirane
CID 118037281
1-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methyl]pyridin-1-ium
CID 143647365
(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane
CID 129386146

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane?
The IUPAC name of 2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane (CID 144895913) is 2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane.
What is the SMILES notation for 2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane?
The canonical SMILES for 2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane is CC(C)CC(c1ccc(COCC2CO2)cc1)C(C)(C)C.
What is the InChIKey of 2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane?
The InChIKey is OHMFBUBEMUMNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-14(2)10-18(19(3,4)5)16-8-6-15(7-9-16)11-20-12-17-13-21-17/h6-9,14,17-18H,10-13H2,1-5H3.
What are the key properties of 2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane?
2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane has a molecular weight of 290.45 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane is sourced from PubChem (CID 144895913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).