(3-methoxy-3-methyldodec-1-enyl)benzene

C20H32O — CID 152539606

IUPAC(3-methoxy-3-methyldodec-1-enyl)benzene
SMILESCCCCCCCCCC(C)(C=Cc1ccccc1)OC
InChIInChI=1S/C20H32O/c1-4-5-6-7-8-9-13-17-20(2,21-3)18-16-19-14-11-10-12-15-19/h10-12,14-16,18H,4-9,13,17H2,1-3H3
InChIKeyYLGNMAVJNNMFSQ-UHFFFAOYSA-N
MW288.47 g/mol
LogP6.25
Rot. Bonds11

About (3-methoxy-3-methyldodec-1-enyl)benzene

(3-methoxy-3-methyldodec-1-enyl)benzene (PubChem CID 152539606) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is (3-methoxy-3-methyldodec-1-enyl)benzene.

Molecular Properties

Compound Name(3-methoxy-3-methyldodec-1-enyl)benzene
PubChem CID152539606
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name(3-methoxy-3-methyldodec-1-enyl)benzene
SMILESCCCCCCCCCC(C)(C=Cc1ccccc1)OC
InChIInChI=1S/C20H32O/c1-4-5-6-7-8-9-13-17-20(2,21-3)18-16-19-14-11-10-12-15-19/h10-12,14-16,18H,4-9,13,17H2,1-3H3
InChIKeyYLGNMAVJNNMFSQ-UHFFFAOYSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-methoxy-3-methyldodec-1-enyl)benzene 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

3,3-dimethylnon-1-enylbenzene
CID 173227599
6-[(E)-2-phenylethenyl]undecan-6-ol
CID 16664378
2-methylnonan-2-yl(2-phenylethenyl)silane
CID 173268172
2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine
CID 139722796
2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine
CID 139722692
2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine
CID 139723503
[(E)-octadec-1-enyl]benzene
CID 22722345
11,11,11-trimethoxyundec-1-enylbenzene
CID 151728139
pentan-1-ol;(E)-stilbene
CID 172553874
1-phenylundec-1-en-3-one
CID 3805572
3-henicosoxyprop-1-enylbenzene
CID 139660432
3-nonoxyprop-1-enylbenzene
CID 91487084

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methyldodec-1-enyl)benzene?
The IUPAC name of (3-methoxy-3-methyldodec-1-enyl)benzene (CID 152539606) is (3-methoxy-3-methyldodec-1-enyl)benzene.
What is the SMILES notation for (3-methoxy-3-methyldodec-1-enyl)benzene?
The canonical SMILES for (3-methoxy-3-methyldodec-1-enyl)benzene is CCCCCCCCCC(C)(C=Cc1ccccc1)OC.
What is the InChIKey of (3-methoxy-3-methyldodec-1-enyl)benzene?
The InChIKey is YLGNMAVJNNMFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-4-5-6-7-8-9-13-17-20(2,21-3)18-16-19-14-11-10-12-15-19/h10-12,14-16,18H,4-9,13,17H2,1-3H3.
What are the key properties of (3-methoxy-3-methyldodec-1-enyl)benzene?
(3-methoxy-3-methyldodec-1-enyl)benzene has a molecular weight of 288.47 g/mol, XLogP of 6.25, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methyldodec-1-enyl)benzene is sourced from PubChem (CID 152539606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).