[(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene

C16H20O — CID 143050918

IUPAC[(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene
SMILESC=C(C)/C=C(COC)\C(=C/C)c1ccccc1
InChIInChI=1S/C16H20O/c1-5-16(14-9-7-6-8-10-14)15(12-17-4)11-13(2)3/h5-11H,2,12H2,1,3-4H3/b15-11-,16-5-
InChIKeyFYEMPRFRAATVHH-IMJPPKPTSA-N
MW228.33 g/mol
LogP4.24
Rot. Bonds5

About [(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene

[(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene (PubChem CID 143050918) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is [(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene.

Molecular Properties

Compound Name[(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene
PubChem CID143050918
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name[(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene
SMILESC=C(C)/C=C(COC)\C(=C/C)c1ccccc1
InChIInChI=1S/C16H20O/c1-5-16(14-9-7-6-8-10-14)15(12-17-4)11-13(2)3/h5-11H,2,12H2,1,3-4H3/b15-11-,16-5-
InChIKeyFYEMPRFRAATVHH-IMJPPKPTSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene
CID 125477418
[(1E)-1-ethoxy-3-methylbuta-1,3-dienyl]benzene
CID 10559531
(E)-4-(diethylamino)-1-methoxy-3-phenylbut-3-en-2-one
CID 70608998
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
1-methoxy-4-(methylamino)-3-phenylbut-3-en-2-one
CID 154229368
ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
CID 143592596
(3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one
CID 145260514
ethane;methoxymethane;prop-1-en-2-ylbenzene
CID 160714954
(NZ)-N-[(E)-3-phenylpent-3-en-2-ylidene]hydroxylamine
CID 5370538
dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one
CID 174789890
(1E,3Z)-4-methyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]hepta-1,3-dien-6-yne-1-thiol
CID 137420223

Frequently Asked Questions

What is the IUPAC name of [(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene?
The IUPAC name of [(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene (CID 143050918) is [(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene.
What is the SMILES notation for [(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene?
The canonical SMILES for [(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene is C=C(C)/C=C(COC)\C(=C/C)c1ccccc1.
What is the InChIKey of [(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene?
The InChIKey is FYEMPRFRAATVHH-IMJPPKPTSA-N. The full InChI is InChI=1S/C16H20O/c1-5-16(14-9-7-6-8-10-14)15(12-17-4)11-13(2)3/h5-11H,2,12H2,1,3-4H3/b15-11-,16-5-.
What are the key properties of [(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene?
[(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene has a molecular weight of 228.33 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene is sourced from PubChem (CID 143050918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).