(2-methoxy-2-non-1-en-4-yloxyethyl)benzene

C18H28O2 — CID 100992819

IUPAC(2-methoxy-2-non-1-en-4-yloxyethyl)benzene
SMILESC=CCC(CCCCC)OC(Cc1ccccc1)OC
InChIInChI=1S/C18H28O2/c1-4-6-8-14-17(11-5-2)20-18(19-3)15-16-12-9-7-10-13-16/h5,7,9-10,12-13,17-18H,2,4,6,8,11,14-15H2,1,3H3
InChIKeyPLWDKPBRLOIZBX-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.74
Rot. Bonds11

About (2-methoxy-2-non-1-en-4-yloxyethyl)benzene

(2-methoxy-2-non-1-en-4-yloxyethyl)benzene (PubChem CID 100992819) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (2-methoxy-2-non-1-en-4-yloxyethyl)benzene.

Molecular Properties

Compound Name(2-methoxy-2-non-1-en-4-yloxyethyl)benzene
PubChem CID100992819
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(2-methoxy-2-non-1-en-4-yloxyethyl)benzene
SMILESC=CCC(CCCCC)OC(Cc1ccccc1)OC
InChIInChI=1S/C18H28O2/c1-4-6-8-14-17(11-5-2)20-18(19-3)15-16-12-9-7-10-13-16/h5,7,9-10,12-13,17-18H,2,4,6,8,11,14-15H2,1,3H3
InChIKeyPLWDKPBRLOIZBX-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxyoctylbenzene
CID 102054372
4-methoxynon-1-ene
CID 13284925
ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene
CID 175241821
2-ethenyltetradecylbenzene
CID 173452613
3-prop-2-enylnonadecylbenzene
CID 173349260
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567
[oct-1-en-4-yloxy(diphenyl)methyl]benzene
CID 70568043
trimethyl-[(1R)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane
CID 10827976
1-phenyltridecan-2-yloxyboronic acid
CID 67602168
2-tridec-1-en-4-yloxyisoindole-1,3-dione
CID 72701710
2-benzyltetradecylbenzene
CID 22920205
4-(methoxymethoxy)non-1-ene
CID 14592865

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-non-1-en-4-yloxyethyl)benzene?
The IUPAC name of (2-methoxy-2-non-1-en-4-yloxyethyl)benzene (CID 100992819) is (2-methoxy-2-non-1-en-4-yloxyethyl)benzene.
What is the SMILES notation for (2-methoxy-2-non-1-en-4-yloxyethyl)benzene?
The canonical SMILES for (2-methoxy-2-non-1-en-4-yloxyethyl)benzene is C=CCC(CCCCC)OC(Cc1ccccc1)OC.
What is the InChIKey of (2-methoxy-2-non-1-en-4-yloxyethyl)benzene?
The InChIKey is PLWDKPBRLOIZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-4-6-8-14-17(11-5-2)20-18(19-3)15-16-12-9-7-10-13-16/h5,7,9-10,12-13,17-18H,2,4,6,8,11,14-15H2,1,3H3.
What are the key properties of (2-methoxy-2-non-1-en-4-yloxyethyl)benzene?
(2-methoxy-2-non-1-en-4-yloxyethyl)benzene has a molecular weight of 276.42 g/mol, XLogP of 4.74, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-non-1-en-4-yloxyethyl)benzene is sourced from PubChem (CID 100992819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).