[(3S)-hex-1-en-3-yl]oxybenzene

C12H16O — CID 100974430

IUPAC[(3S)-hex-1-en-3-yl]oxybenzene
SMILESC=C[C@H](CCC)Oc1ccccc1
InChIInChI=1S/C12H16O/c1-3-8-11(4-2)13-12-9-6-5-7-10-12/h4-7,9-11H,2-3,8H2,1H3/t11-/m1/s1
InChIKeyFOIKSYSKRNLHJI-LLVKDONJSA-N
MW176.26 g/mol
LogP3.42
Rot. Bonds5

About [(3S)-hex-1-en-3-yl]oxybenzene

[(3S)-hex-1-en-3-yl]oxybenzene (PubChem CID 100974430) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is [(3S)-hex-1-en-3-yl]oxybenzene.

Molecular Properties

Compound Name[(3S)-hex-1-en-3-yl]oxybenzene
PubChem CID100974430
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name[(3S)-hex-1-en-3-yl]oxybenzene
SMILESC=C[C@H](CCC)Oc1ccccc1
InChIInChI=1S/C12H16O/c1-3-8-11(4-2)13-12-9-6-5-7-10-12/h4-7,9-11H,2-3,8H2,1H3/t11-/m1/s1
InChIKeyFOIKSYSKRNLHJI-LLVKDONJSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene
CID 11321707
3-hex-1-en-3-yloxybenzaldehyde
CID 73229567
[3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate
CID 102471013
1-hex-1-en-3-yloxy-4-nitrobenzene
CID 58105900
CID 22215457
CID 22215457
3-methylhexan-2-yloxybenzene
CID 150585965
2-phenoxyundecanal
CID 57130450
1-ethenoxypropoxybenzene
CID 20548165
N-(1-phenoxyprop-2-enyl)pentan-1-amine
CID 67815526
N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide
CID 177362391
hex-5-en-3-yloxybenzene
CID 174866865
[benzoyloxy(hex-1-en-3-yloxy)silyl] benzoate
CID 173415998

Frequently Asked Questions

What is the IUPAC name of [(3S)-hex-1-en-3-yl]oxybenzene?
The IUPAC name of [(3S)-hex-1-en-3-yl]oxybenzene (CID 100974430) is [(3S)-hex-1-en-3-yl]oxybenzene.
What is the SMILES notation for [(3S)-hex-1-en-3-yl]oxybenzene?
The canonical SMILES for [(3S)-hex-1-en-3-yl]oxybenzene is C=C[C@H](CCC)Oc1ccccc1.
What is the InChIKey of [(3S)-hex-1-en-3-yl]oxybenzene?
The InChIKey is FOIKSYSKRNLHJI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O/c1-3-8-11(4-2)13-12-9-6-5-7-10-12/h4-7,9-11H,2-3,8H2,1H3/t11-/m1/s1.
What are the key properties of [(3S)-hex-1-en-3-yl]oxybenzene?
[(3S)-hex-1-en-3-yl]oxybenzene has a molecular weight of 176.26 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-hex-1-en-3-yl]oxybenzene is sourced from PubChem (CID 100974430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).