methanol;2-(2-nonylphenoxy)oxirane

C18H30O3 — CID 88727067

IUPACmethanol;2-(2-nonylphenoxy)oxirane
SMILESCCCCCCCCCc1ccccc1OC1CO1.CO
InChIInChI=1S/C17H26O2.CH4O/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)19-17-14-18-17;1-2/h9-10,12-13,17H,2-8,11,14H2,1H3;2H,1H3
InChIKeyJACQFESUIXCFPF-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.32
Rot. Bonds10

About methanol;2-(2-nonylphenoxy)oxirane

methanol;2-(2-nonylphenoxy)oxirane (PubChem CID 88727067) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is methanol;2-(2-nonylphenoxy)oxirane.

Molecular Properties

Compound Namemethanol;2-(2-nonylphenoxy)oxirane
PubChem CID88727067
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Namemethanol;2-(2-nonylphenoxy)oxirane
SMILESCCCCCCCCCc1ccccc1OC1CO1.CO
InChIInChI=1S/C17H26O2.CH4O/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)19-17-14-18-17;1-2/h9-10,12-13,17H,2-8,11,14H2,1H3;2H,1H3
InChIKeyJACQFESUIXCFPF-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(2-hexylphenoxy)oxane
CID 70186744
1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88512513
1-methoxy-2-tetradecylbenzene
CID 69169530
(2-hexylphenyl) propanoate
CID 173224312
hydroxy-(2-octylphenoxy)-oxophosphanium
CID 67546682
hydroxy-(2-nonylphenoxy)-oxosilane
CID 67915956
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
1-decyl-2-ethoxybenzene
CID 175243335
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
(2-octylphenoxy)phosphane
CID 163637323

Frequently Asked Questions

What is the IUPAC name of methanol;2-(2-nonylphenoxy)oxirane?
The IUPAC name of methanol;2-(2-nonylphenoxy)oxirane (CID 88727067) is methanol;2-(2-nonylphenoxy)oxirane.
What is the SMILES notation for methanol;2-(2-nonylphenoxy)oxirane?
The canonical SMILES for methanol;2-(2-nonylphenoxy)oxirane is CCCCCCCCCc1ccccc1OC1CO1.CO.
What is the InChIKey of methanol;2-(2-nonylphenoxy)oxirane?
The InChIKey is JACQFESUIXCFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.CH4O/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)19-17-14-18-17;1-2/h9-10,12-13,17H,2-8,11,14H2,1H3;2H,1H3.
What are the key properties of methanol;2-(2-nonylphenoxy)oxirane?
methanol;2-(2-nonylphenoxy)oxirane has a molecular weight of 294.44 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-(2-nonylphenoxy)oxirane is sourced from PubChem (CID 88727067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).