[(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene

C16H22O2 — CID 102383332

IUPAC[(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene
SMILESC=CCOC/C=C\C(CCc1ccccc1)OC
InChIInChI=1S/C16H22O2/c1-3-13-18-14-7-10-16(17-2)12-11-15-8-5-4-6-9-15/h3-10,16H,1,11-14H2,2H3/b10-7-
InChIKeyYHUVRKUAKCZSST-YFHOEESVSA-N
MW246.35 g/mol
LogP3.39
Rot. Bonds9

About [(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene

[(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene (PubChem CID 102383332) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene.

Molecular Properties

Compound Name[(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene
PubChem CID102383332
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene
SMILESC=CCOC/C=C\C(CCc1ccccc1)OC
InChIInChI=1S/C16H22O2/c1-3-13-18-14-7-10-16(17-2)12-11-15-8-5-4-6-9-15/h3-10,16H,1,11-14H2,2H3/b10-7-
InChIKeyYHUVRKUAKCZSST-YFHOEESVSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxyhex-4-enylbenzene
CID 71364959
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
(3-methoxy-4,4-dimethylhex-5-enyl)benzene
CID 13449105
[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
[(Z)-1-phenylhex-4-en-3-yl]oxymethylbenzene
CID 23649924
(2R,3S)-5-phenyl-2-[(E)-3-phenylmethoxyprop-1-enyl]pentane-1,3-diol
CID 138976247
disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene
CID 173405020
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999
dimethyl 2-methyl-2-(5-phenylpent-1-en-3-yl)propanedioate
CID 23661395
5-phenylpent-1-en-3-yl 2-bromopropanoate
CID 139257461
1,1-dimethoxy-4-phenylbutan-2-amine
CID 68520793
[(3R)-3-bromohex-5-enyl]benzene
CID 125475823

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene?
The IUPAC name of [(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene (CID 102383332) is [(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene.
What is the SMILES notation for [(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene?
The canonical SMILES for [(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene is C=CCOC/C=C\C(CCc1ccccc1)OC.
What is the InChIKey of [(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene?
The InChIKey is YHUVRKUAKCZSST-YFHOEESVSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-13-18-14-7-10-16(17-2)12-11-15-8-5-4-6-9-15/h3-10,16H,1,11-14H2,2H3/b10-7-.
What are the key properties of [(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene?
[(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene has a molecular weight of 246.35 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene is sourced from PubChem (CID 102383332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).