hex-5-en-3-yloxybenzene

C12H16O — CID 174866865

IUPAChex-5-en-3-yloxybenzene
SMILESC=CCC(CC)Oc1ccccc1
InChIInChI=1S/C12H16O/c1-3-8-11(4-2)13-12-9-6-5-7-10-12/h3,5-7,9-11H,1,4,8H2,2H3
InChIKeyLVCIHPKYTJHFFL-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.42
Rot. Bonds5

About hex-5-en-3-yloxybenzene

hex-5-en-3-yloxybenzene (PubChem CID 174866865) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is hex-5-en-3-yloxybenzene.

Molecular Properties

Compound Namehex-5-en-3-yloxybenzene
PubChem CID174866865
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Namehex-5-en-3-yloxybenzene
SMILESC=CCC(CC)Oc1ccccc1
InChIInChI=1S/C12H16O/c1-3-8-11(4-2)13-12-9-6-5-7-10-12/h3,5-7,9-11H,1,4,8H2,2H3
InChIKeyLVCIHPKYTJHFFL-UHFFFAOYSA-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'}

Analyze hex-5-en-3-yloxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenoxypropoxybenzene
CID 20548165
4-phenoxyhexanoic acid
CID 166708960
triphenoxy(prop-2-enyl)phosphanium chloride
CID 11417801
phenyl 2-ethylpent-4-enoate
CID 86014325
[(3S,4S)-4-deuteriooctan-3-yl]oxybenzene
CID 10655951
1,3-di(pentan-3-yloxy)benzene
CID 91386050
1-ethenoxypropan-2-yloxybenzene
CID 19808106
[(3S)-hex-1-en-3-yl]oxybenzene
CID 100974430
(2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide
CID 40579720
N'-hydroxy-3-phenoxypentanimidamide
CID 43368248
1-prop-2-enylperoxydodecan-3-yloxybenzene
CID 175703122
undecan-6-yloxybenzene
CID 130316504

Frequently Asked Questions

What is the IUPAC name of hex-5-en-3-yloxybenzene?
The IUPAC name of hex-5-en-3-yloxybenzene (CID 174866865) is hex-5-en-3-yloxybenzene.
What is the SMILES notation for hex-5-en-3-yloxybenzene?
The canonical SMILES for hex-5-en-3-yloxybenzene is C=CCC(CC)Oc1ccccc1.
What is the InChIKey of hex-5-en-3-yloxybenzene?
The InChIKey is LVCIHPKYTJHFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-8-11(4-2)13-12-9-6-5-7-10-12/h3,5-7,9-11H,1,4,8H2,2H3.
What are the key properties of hex-5-en-3-yloxybenzene?
hex-5-en-3-yloxybenzene 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 hex-5-en-3-yloxybenzene is sourced from PubChem (CID 174866865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).