[(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene

C18H24O — CID 135034391

IUPAC[(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene
SMILESC1=C[C@@H](/C=C/CCCOCc2ccccc2)CCC1
InChIInChI=1S/C18H24O/c1-4-10-17(11-5-1)12-8-3-9-15-19-16-18-13-6-2-7-14-18/h2,4,6-8,10,12-14,17H,1,3,5,9,11,15-16H2/b12-8+/t17-/m1/s1
InChIKeyOGFAYTSIAYBHOV-FWVUHSSSSA-N
MW256.39 g/mol
LogP4.90
Rot. Bonds7

About [(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene

[(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene (PubChem CID 135034391) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is [(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene
PubChem CID135034391
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name[(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene
SMILESC1=C[C@@H](/C=C/CCCOCc2ccccc2)CCC1
InChIInChI=1S/C18H24O/c1-4-10-17(11-5-1)12-8-3-9-15-19-16-18-13-6-2-7-14-18/h2,4,6-8,10,12-14,17H,1,3,5,9,11,15-16H2/b12-8+/t17-/m1/s1
InChIKeyOGFAYTSIAYBHOV-FWVUHSSSSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(Z)-hex-1-enyl]cyclohexene
CID 177486047
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
3-[(E)-oct-1-enyl]cyclohexene
CID 12576320
undec-4-enoxymethylbenzene
CID 158781580
2-cyclopent-2-en-1-ylethoxymethylbenzene
CID 86221506
[(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene
CID 162559957
5-nitropent-4-enoxymethylbenzene
CID 85369465
(2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol
CID 10955854
6-phenylmethoxyhexylidenephosphanium
CID 155584050
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate
CID 10827220

Frequently Asked Questions

What is the IUPAC name of [(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene?
The IUPAC name of [(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene (CID 135034391) is [(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene.
What is the SMILES notation for [(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene?
The canonical SMILES for [(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene is C1=C[C@@H](/C=C/CCCOCc2ccccc2)CCC1.
What is the InChIKey of [(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene?
The InChIKey is OGFAYTSIAYBHOV-FWVUHSSSSA-N. The full InChI is InChI=1S/C18H24O/c1-4-10-17(11-5-1)12-8-3-9-15-19-16-18-13-6-2-7-14-18/h2,4,6-8,10,12-14,17H,1,3,5,9,11,15-16H2/b12-8+/t17-/m1/s1.
What are the key properties of [(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene?
[(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene has a molecular weight of 256.39 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene is sourced from PubChem (CID 135034391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).