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

C24H40O — CID 150699958

IUPAC1-(2-methylprop-1-enyl)-4-tetradecoxybenzene
SMILESCCCCCCCCCCCCCCOc1ccc(C=C(C)C)cc1
InChIInChI=1S/C24H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-25-24-18-16-23(17-19-24)21-22(2)3/h16-19,21H,4-15,20H2,1-3H3
InChIKeyJLQSENIPUCRRMF-UHFFFAOYSA-N
MW344.58 g/mol
LogP8.19
Rot. Bonds15

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

1-(2-methylprop-1-enyl)-4-tetradecoxybenzene (PubChem CID 150699958) has the molecular formula C24H40O and a molecular weight of 344.58 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)-4-tetradecoxybenzene.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)-4-tetradecoxybenzene
PubChem CID150699958
Molecular FormulaC24H40O
Molecular Weight344.58 g/mol
Exact Mass344.31
IUPAC Name1-(2-methylprop-1-enyl)-4-tetradecoxybenzene
SMILESCCCCCCCCCCCCCCOc1ccc(C=C(C)C)cc1
InChIInChI=1S/C24H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-25-24-18-16-23(17-19-24)21-22(2)3/h16-19,21H,4-15,20H2,1-3H3
InChIKeyJLQSENIPUCRRMF-UHFFFAOYSA-N
XLogP8.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 58.19
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

2-methyl-3-(4-pentoxyphenyl)prop-2-en-1-amine
CID 79324202
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-bis[4-(4-dodecoxyphenyl)-2-[2-(4-dodecoxyphenyl)ethynyl]but-1-en-3-ynyl]benzene
CID 10996874
4-octadecoxyphenol
CID 22179059
1,4-dipentoxybenzene
CID 18314717
1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene
CID 151179000
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
4-icosoxybenzaldehyde
CID 23127488
1-[(E)-2-nitroprop-1-enyl]-4-pentoxybenzene
CID 94776304
ethanol;4-octadecoxybenzaldehyde
CID 158692714

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enyl)-4-tetradecoxybenzene?
The IUPAC name of 1-(2-methylprop-1-enyl)-4-tetradecoxybenzene (CID 150699958) is 1-(2-methylprop-1-enyl)-4-tetradecoxybenzene.
What is the SMILES notation for 1-(2-methylprop-1-enyl)-4-tetradecoxybenzene?
The canonical SMILES for 1-(2-methylprop-1-enyl)-4-tetradecoxybenzene is CCCCCCCCCCCCCCOc1ccc(C=C(C)C)cc1.
What is the InChIKey of 1-(2-methylprop-1-enyl)-4-tetradecoxybenzene?
The InChIKey is JLQSENIPUCRRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-25-24-18-16-23(17-19-24)21-22(2)3/h16-19,21H,4-15,20H2,1-3H3.
What are the key properties of 1-(2-methylprop-1-enyl)-4-tetradecoxybenzene?
1-(2-methylprop-1-enyl)-4-tetradecoxybenzene has a molecular weight of 344.58 g/mol, XLogP of 8.19, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyl)-4-tetradecoxybenzene is sourced from PubChem (CID 150699958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).