3-pentoxyprop-1-en-2-ylbenzene

C14H20O — CID 174460660

IUPAC3-pentoxyprop-1-en-2-ylbenzene
SMILESC=C(COCCCCC)c1ccccc1
InChIInChI=1S/C14H20O/c1-3-4-8-11-15-12-13(2)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKeyYDQGGXAOXWYVHU-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.91
Rot. Bonds7

About 3-pentoxyprop-1-en-2-ylbenzene

3-pentoxyprop-1-en-2-ylbenzene (PubChem CID 174460660) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-pentoxyprop-1-en-2-ylbenzene.

Molecular Properties

Compound Name3-pentoxyprop-1-en-2-ylbenzene
PubChem CID174460660
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-pentoxyprop-1-en-2-ylbenzene
SMILESC=C(COCCCCC)c1ccccc1
InChIInChI=1S/C14H20O/c1-3-4-8-11-15-12-13(2)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKeyYDQGGXAOXWYVHU-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-pentoxyprop-1-en-2-ylbenzene 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

3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
CID 175197492
3-(6-bromohexoxy)prop-1-en-2-ylbenzene
CID 70184291
1-pentoxypentane;1-phenylethenylbenzene
CID 174459575
1-[3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]-4-prop-1-en-2-ylbenzene;ethane
CID 163241395
benzoic acid;1-pentoxypentane
CID 70815519
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
[2-(octadecoxymethyl)prop-2-enoxy-diphenylmethyl]benzene
CID 168831330
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
pentoxymethyl benzoate
CID 67613066
3-heptoxy-1-phenylpropan-1-one
CID 116692052
3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene
CID 14469488
lithium;methanidylbenzene;2-pentoxyacetic acid
CID 158678473

Frequently Asked Questions

What is the IUPAC name of 3-pentoxyprop-1-en-2-ylbenzene?
The IUPAC name of 3-pentoxyprop-1-en-2-ylbenzene (CID 174460660) is 3-pentoxyprop-1-en-2-ylbenzene.
What is the SMILES notation for 3-pentoxyprop-1-en-2-ylbenzene?
The canonical SMILES for 3-pentoxyprop-1-en-2-ylbenzene is C=C(COCCCCC)c1ccccc1.
What is the InChIKey of 3-pentoxyprop-1-en-2-ylbenzene?
The InChIKey is YDQGGXAOXWYVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-4-8-11-15-12-13(2)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-12H2,1H3.
What are the key properties of 3-pentoxyprop-1-en-2-ylbenzene?
3-pentoxyprop-1-en-2-ylbenzene has a molecular weight of 204.31 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxyprop-1-en-2-ylbenzene is sourced from PubChem (CID 174460660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).