2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane

C14H28O — CID 11052980

IUPAC2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane
SMILESCCCCCC[C@@H](C)CCC1OC1(C)C
InChIInChI=1S/C14H28O/c1-5-6-7-8-9-12(2)10-11-13-14(3,4)15-13/h12-13H,5-11H2,1-4H3/t12-,13?/m1/s1
InChIKeyZLIGNOCNXFNMKE-PZORYLMUSA-N
MW212.38 g/mol
LogP4.55
Rot. Bonds8

About 2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane

2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane (PubChem CID 11052980) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane
PubChem CID11052980
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane
SMILESCCCCCC[C@@H](C)CCC1OC1(C)C
InChIInChI=1S/C14H28O/c1-5-6-7-8-9-12(2)10-11-13-14(3,4)15-13/h12-13H,5-11H2,1-4H3/t12-,13?/m1/s1
InChIKeyZLIGNOCNXFNMKE-PZORYLMUSA-N
XLogP4.55
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol
CID 101088823
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107
7,13-dimethylnonatriacontane
CID 91752073
7,13-dimethylhexacosane
CID 91751102
15-methylhentetracontane
CID 56936162
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane?
The IUPAC name of 2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane (CID 11052980) is 2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane.
What is the SMILES notation for 2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane?
The canonical SMILES for 2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane is CCCCCC[C@@H](C)CCC1OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane?
The InChIKey is ZLIGNOCNXFNMKE-PZORYLMUSA-N. The full InChI is InChI=1S/C14H28O/c1-5-6-7-8-9-12(2)10-11-13-14(3,4)15-13/h12-13H,5-11H2,1-4H3/t12-,13?/m1/s1.
What are the key properties of 2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane?
2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane has a molecular weight of 212.38 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane is sourced from PubChem (CID 11052980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).