1-hex-4-en-3-yloxynaphthalene

C16H18O — CID 141024446

IUPAC1-hex-4-en-3-yloxynaphthalene
SMILESCC=CC(CC)Oc1cccc2ccccc12
InChIInChI=1S/C16H18O/c1-3-8-14(4-2)17-16-12-7-10-13-9-5-6-11-15(13)16/h3,5-12,14H,4H2,1-2H3
InChIKeyZBFKCKGBESFPKC-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.57
Rot. Bonds4

About 1-hex-4-en-3-yloxynaphthalene

1-hex-4-en-3-yloxynaphthalene (PubChem CID 141024446) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-hex-4-en-3-yloxynaphthalene.

Molecular Properties

Compound Name1-hex-4-en-3-yloxynaphthalene
PubChem CID141024446
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-hex-4-en-3-yloxynaphthalene
SMILESCC=CC(CC)Oc1cccc2ccccc12
InChIInChI=1S/C16H18O/c1-3-8-14(4-2)17-16-12-7-10-13-9-5-6-11-15(13)16/h3,5-12,14H,4H2,1-2H3
InChIKeyZBFKCKGBESFPKC-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.57
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

2-naphthalen-1-yloxypropan-1-ol
CID 13259427
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
1-pent-3-yn-2-yloxynaphthalene
CID 21290400
3-naphthalen-1-yloxybutan-2-amine
CID 61353767
1-[ethoxy(methoxy)methoxy]naphthalene
CID 173038488
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
methylamino(naphthalen-1-yloxy)methanol
CID 173197602
(2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide
CID 38017332
N-benzhydryl-2-naphthalen-1-yloxybutanamide
CID 46763227
N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine
CID 143759514
N-ethyl-3-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62459225

Frequently Asked Questions

What is the IUPAC name of 1-hex-4-en-3-yloxynaphthalene?
The IUPAC name of 1-hex-4-en-3-yloxynaphthalene (CID 141024446) is 1-hex-4-en-3-yloxynaphthalene.
What is the SMILES notation for 1-hex-4-en-3-yloxynaphthalene?
The canonical SMILES for 1-hex-4-en-3-yloxynaphthalene is CC=CC(CC)Oc1cccc2ccccc12.
What is the InChIKey of 1-hex-4-en-3-yloxynaphthalene?
The InChIKey is ZBFKCKGBESFPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-3-8-14(4-2)17-16-12-7-10-13-9-5-6-11-15(13)16/h3,5-12,14H,4H2,1-2H3.
What are the key properties of 1-hex-4-en-3-yloxynaphthalene?
1-hex-4-en-3-yloxynaphthalene has a molecular weight of 226.32 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-4-en-3-yloxynaphthalene is sourced from PubChem (CID 141024446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).