(2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane

C15H18O2 — CID 11958057

IUPAC(2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane
SMILESC(#CC[C@@H]1CO1)CCCOCc1ccccc1
InChIInChI=1S/C15H18O2/c1(6-10-15-13-17-15)2-7-11-16-12-14-8-4-3-5-9-14/h3-5,8-9,15H,2,7,10-13H2/t15-/m1/s1
InChIKeyVXZDCZZKJJTLRG-OAHLLOKOSA-N
MW230.31 g/mol
LogP2.78
Rot. Bonds6

About (2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane

(2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane (PubChem CID 11958057) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane
PubChem CID11958057
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane
SMILESC(#CC[C@@H]1CO1)CCCOCc1ccccc1
InChIInChI=1S/C15H18O2/c1(6-10-15-13-17-15)2-7-11-16-12-14-8-4-3-5-9-14/h3-5,8-9,15H,2,7,10-13H2/t15-/m1/s1
InChIKeyVXZDCZZKJJTLRG-OAHLLOKOSA-N
XLogP2.78
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oct-4-ynoxymethylbenzene
CID 11063850
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6-iodohex-5-ynoxymethylbenzene
CID 132537074
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
2-(5-phenylmethoxypent-2-ynyl)cyclohexan-1-one
CID 139255000
3-(3-phenylmethoxypropoxy)oxetane
CID 90348128
10-phenylmethoxydec-4-ynal
CID 10988968
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
(2S)-2-[4-[(4-methoxyphenyl)methoxy]but-2-ynyl]oxirane
CID 11172314
7-methyl-9-phenylmethoxynon-4-yne-1,7-diol
CID 14544163

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane?
The IUPAC name of (2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane (CID 11958057) is (2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane.
What is the SMILES notation for (2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane?
The canonical SMILES for (2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane is C(#CC[C@@H]1CO1)CCCOCc1ccccc1.
What is the InChIKey of (2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane?
The InChIKey is VXZDCZZKJJTLRG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18O2/c1(6-10-15-13-17-15)2-7-11-16-12-14-8-4-3-5-9-14/h3-5,8-9,15H,2,7,10-13H2/t15-/m1/s1.
What are the key properties of (2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane?
(2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane has a molecular weight of 230.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-phenylmethoxyhex-2-ynyl)oxirane is sourced from PubChem (CID 11958057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).