(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane

C9H18O — CID 59051060

IUPAC(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane
SMILESCC(C)CC[C@H]1OC1(C)C
InChIInChI=1S/C9H18O/c1-7(2)5-6-8-9(3,4)10-8/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeySEDCDDSXLICZGN-MRVPVSSYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds3

About (3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane

(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane (PubChem CID 59051060) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane
PubChem CID59051060
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane
SMILESCC(C)CC[C@H]1OC1(C)C
InChIInChI=1S/C9H18O/c1-7(2)5-6-8-9(3,4)10-8/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeySEDCDDSXLICZGN-MRVPVSSYSA-N
XLogP2.60
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane
CID 527249
(3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol
CID 101088823
2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane
CID 11052980
2-[2-(3,3-dimethyloxiran-2-yl)ethyl]butane-1,4-diol
CID 135084125
(4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane
CID 59873114
(3S)-5-(3,3-dimethyloxiran-2-yl)pent-1-en-3-amine
CID 146180433
2,2-dimethyl-3-[3-(oxiran-2-yl)pentyl]oxirane
CID 59773868
[(3R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-3-methylpentyl] acetate
CID 14470430
2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol
CID 134895154
ethyl (5S)-7-[(2R)-3,3-dimethyloxiran-2-yl]-5-methylhept-2-enoate
CID 173271259
(5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane
CID 6941978
4-[4-(3,3-dimethyloxiran-2-yl)butan-2-yl]benzaldehyde
CID 91747470

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane?
The IUPAC name of (3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane (CID 59051060) is (3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane.
What is the SMILES notation for (3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane?
The canonical SMILES for (3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane is CC(C)CC[C@H]1OC1(C)C.
What is the InChIKey of (3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane?
The InChIKey is SEDCDDSXLICZGN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)5-6-8-9(3,4)10-8/h7-8H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of (3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane?
(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane is sourced from PubChem (CID 59051060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).