1-pentoxypentane;1-phenylethenylbenzene

C24H34O — CID 174459575

IUPAC1-pentoxypentane;1-phenylethenylbenzene
SMILESC=C(c1ccccc1)c1ccccc1.CCCCCOCCCCC
InChIInChI=1S/C14H12.C10H22O/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-5-7-9-11-10-8-6-4-2/h2-11H,1H2;3-10H2,1-2H3
InChIKeyXSOPYWPXTNHGIO-UHFFFAOYSA-N
MW338.54 g/mol
LogP7.13
Rot. Bonds10

About 1-pentoxypentane;1-phenylethenylbenzene

1-pentoxypentane;1-phenylethenylbenzene (PubChem CID 174459575) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-pentoxypentane;1-phenylethenylbenzene.

Molecular Properties

Compound Name1-pentoxypentane;1-phenylethenylbenzene
PubChem CID174459575
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name1-pentoxypentane;1-phenylethenylbenzene
SMILESC=C(c1ccccc1)c1ccccc1.CCCCCOCCCCC
InChIInChI=1S/C14H12.C10H22O/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-5-7-9-11-10-8-6-4-2/h2-11H,1H2;3-10H2,1-2H3
InChIKeyXSOPYWPXTNHGIO-UHFFFAOYSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-pentoxyprop-1-en-2-ylbenzene
CID 174460660
benzoic acid;1-pentoxypentane
CID 70815519
ethoxyethane;1-phenylethenylbenzene
CID 69353422
3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
CID 175197492
3-heptoxy-1-phenylpropan-1-one
CID 116692052
2-nonoxyethyl benzoate
CID 140608587
1-pentoxypentane;styrene
CID 174531543
2-pentoxyethylbenzene
CID 3022447
fluorobenzene;1-hexoxyhexane
CID 174664464
pentoxymethyl benzoate
CID 67613066
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
2-pentoxyethoxybenzene
CID 54431229

Frequently Asked Questions

What is the IUPAC name of 1-pentoxypentane;1-phenylethenylbenzene?
The IUPAC name of 1-pentoxypentane;1-phenylethenylbenzene (CID 174459575) is 1-pentoxypentane;1-phenylethenylbenzene.
What is the SMILES notation for 1-pentoxypentane;1-phenylethenylbenzene?
The canonical SMILES for 1-pentoxypentane;1-phenylethenylbenzene is C=C(c1ccccc1)c1ccccc1.CCCCCOCCCCC.
What is the InChIKey of 1-pentoxypentane;1-phenylethenylbenzene?
The InChIKey is XSOPYWPXTNHGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C10H22O/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-5-7-9-11-10-8-6-4-2/h2-11H,1H2;3-10H2,1-2H3.
What are the key properties of 1-pentoxypentane;1-phenylethenylbenzene?
1-pentoxypentane;1-phenylethenylbenzene has a molecular weight of 338.54 g/mol, XLogP of 7.13, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxypentane;1-phenylethenylbenzene is sourced from PubChem (CID 174459575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).