2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane

C20H26O2 — CID 144588993

IUPAC2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane
SMILESC=C(/C=C\C(C)=C/C)C(C)(C)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C20H26O2/c1-6-15(2)7-8-16(3)20(4,5)17-9-11-18(12-10-17)21-13-19-14-22-19/h6-12,19H,3,13-14H2,1-2,4-5H3/b8-7-,15-6-
InChIKeyPLWADENDMFSUCP-APLQTJKCSA-N
MW298.43 g/mol
LogP4.82
Rot. Bonds7

About 2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane

2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane (PubChem CID 144588993) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane
PubChem CID144588993
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane
SMILESC=C(/C=C\C(C)=C/C)C(C)(C)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C20H26O2/c1-6-15(2)7-8-16(3)20(4,5)17-9-11-18(12-10-17)21-13-19-14-22-19/h6-12,19H,3,13-14H2,1-2,4-5H3/b8-7-,15-6-
InChIKeyPLWADENDMFSUCP-APLQTJKCSA-N
XLogP4.82
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane with MolForge

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Related Compounds

2-[[4-[(Z,3E)-3-ethylidene-2-methyl-6-(oxiran-2-ylmethoxy)hex-4-en-2-yl]phenoxy]methyl]oxirane
CID 163487969
4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol
CID 88996492
2-[[4-[1,1-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]ethyl]phenoxy]methyl]oxirane
CID 90352627
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 18780787
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 159105635
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 161041775
[4-(oxiran-2-ylmethoxy)phenyl] 2-methylbut-2-enoate
CID 174782278
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methane
CID 158673985
1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20685097
4-tert-butyl-2,6-di(propan-2-yl)phenol;2-[(4-tert-butylphenoxy)methyl]oxirane
CID 162006543
2-[[4-(4-tert-butylphenyl)sulfonylphenoxy]methyl]oxirane
CID 22346063

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane (CID 144588993) is 2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane is C=C(/C=C\C(C)=C/C)C(C)(C)c1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane?
The InChIKey is PLWADENDMFSUCP-APLQTJKCSA-N. The full InChI is InChI=1S/C20H26O2/c1-6-15(2)7-8-16(3)20(4,5)17-9-11-18(12-10-17)21-13-19-14-22-19/h6-12,19H,3,13-14H2,1-2,4-5H3/b8-7-,15-6-.
What are the key properties of 2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane?
2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane has a molecular weight of 298.43 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4Z,6Z)-2,6-dimethyl-3-methylideneocta-4,6-dien-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 144588993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).