[(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene

C17H24O — CID 101441106

IUPAC[(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene
SMILESC=CC[C@@H](CCc1ccccc1)OCC/C=C/C
InChIInChI=1S/C17H24O/c1-3-5-9-15-18-17(10-4-2)14-13-16-11-7-6-8-12-16/h3-8,11-12,17H,2,9-10,13-15H2,1H3/b5-3+/t17-/m0/s1
InChIKeyPGESEMACFIKLHH-RCFWFJCLSA-N
MW244.38 g/mol
LogP4.55
Rot. Bonds9

About [(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene

[(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene (PubChem CID 101441106) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is [(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene.

Molecular Properties

Compound Name[(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene
PubChem CID101441106
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name[(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene
SMILESC=CC[C@@H](CCc1ccccc1)OCC/C=C/C
InChIInChI=1S/C17H24O/c1-3-5-9-15-18-17(10-4-2)14-13-16-11-7-6-8-12-16/h3-8,11-12,17H,2,9-10,13-15H2,1H3/b5-3+/t17-/m0/s1
InChIKeyPGESEMACFIKLHH-RCFWFJCLSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.55
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

[(3R)-3-pent-4-enoxyhex-5-enyl]benzene
CID 134882651
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703
pent-3-enylbenzene
CID 519421
3-(1-phenylhex-5-en-3-yloxy)butanoic acid
CID 562330
[(E)-oct-6-enyl]benzene;prop-1-ene
CID 142802377
phenoxy(1-phenylhex-5-en-3-yloxy)methanethione
CID 15757484
[(3R)-3-bromohex-5-enyl]benzene
CID 125475823
[(Z)-pent-3-enoxy]methylbenzene
CID 13428364
methyl 4-(3-phenylmethoxypropoxy)hept-6-enoate
CID 19874730
[5,5-diethoxy-3-(3-methylbutoxy)pentyl]benzene
CID 71383867
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567
3-(2-phenylethyl)hept-5-en-1-ol
CID 170009681

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene?
The IUPAC name of [(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene (CID 101441106) is [(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene.
What is the SMILES notation for [(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene?
The canonical SMILES for [(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene is C=CC[C@@H](CCc1ccccc1)OCC/C=C/C.
What is the InChIKey of [(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene?
The InChIKey is PGESEMACFIKLHH-RCFWFJCLSA-N. The full InChI is InChI=1S/C17H24O/c1-3-5-9-15-18-17(10-4-2)14-13-16-11-7-6-8-12-16/h3-8,11-12,17H,2,9-10,13-15H2,1H3/b5-3+/t17-/m0/s1.
What are the key properties of [(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene?
[(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene has a molecular weight of 244.38 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene is sourced from PubChem (CID 101441106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).