1-(2-methylprop-2-enyl)-4-pentoxybenzene

C15H22O — CID 146002705

IUPAC1-(2-methylprop-2-enyl)-4-pentoxybenzene
SMILESC=C(C)Cc1ccc(OCCCCC)cc1
InChIInChI=1S/C15H22O/c1-4-5-6-11-16-15-9-7-14(8-10-15)12-13(2)3/h7-10H,2,4-6,11-12H2,1,3H3
InChIKeyDYBHWGJAISTVPA-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.37
Rot. Bonds7

About 1-(2-methylprop-2-enyl)-4-pentoxybenzene

1-(2-methylprop-2-enyl)-4-pentoxybenzene (PubChem CID 146002705) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-4-pentoxybenzene.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-4-pentoxybenzene
PubChem CID146002705
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(2-methylprop-2-enyl)-4-pentoxybenzene
SMILESC=C(C)Cc1ccc(OCCCCC)cc1
InChIInChI=1S/C15H22O/c1-4-5-6-11-16-15-9-7-14(8-10-15)12-13(2)3/h7-10H,2,4-6,11-12H2,1,3H3
InChIKeyDYBHWGJAISTVPA-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-pentoxyphenyl)acetate
CID 7009494
1,4-dipentoxybenzene
CID 18314717
1-hexoxy-4-pentylbenzene
CID 54277450
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-[[4-(4-nonoxyphenyl)phenyl]methyl]prop-2-enoic acid
CID 54361687
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
1-nonoxy-4-propylbenzene
CID 118632119
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
1-heptoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene
CID 58428325
(4-decoxyphenyl)methanamine
CID 55187501
1-(chloromethyl)-4-octadecoxybenzene
CID 11463563

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-4-pentoxybenzene?
The IUPAC name of 1-(2-methylprop-2-enyl)-4-pentoxybenzene (CID 146002705) is 1-(2-methylprop-2-enyl)-4-pentoxybenzene.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-4-pentoxybenzene?
The canonical SMILES for 1-(2-methylprop-2-enyl)-4-pentoxybenzene is C=C(C)Cc1ccc(OCCCCC)cc1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-4-pentoxybenzene?
The InChIKey is DYBHWGJAISTVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-4-5-6-11-16-15-9-7-14(8-10-15)12-13(2)3/h7-10H,2,4-6,11-12H2,1,3H3.
What are the key properties of 1-(2-methylprop-2-enyl)-4-pentoxybenzene?
1-(2-methylprop-2-enyl)-4-pentoxybenzene has a molecular weight of 218.34 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-4-pentoxybenzene is sourced from PubChem (CID 146002705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).