3,3-dimethyldodec-1-en-4-yloxybenzene

C20H32O — CID 158926907

IUPAC3,3-dimethyldodec-1-en-4-yloxybenzene
SMILESC=CC(C)(C)C(CCCCCCCC)Oc1ccccc1
InChIInChI=1S/C20H32O/c1-5-7-8-9-10-14-17-19(20(3,4)6-2)21-18-15-12-11-13-16-18/h6,11-13,15-16,19H,2,5,7-10,14,17H2,1,3-4H3
InChIKeyJIOHABSRQOBTSZ-UHFFFAOYSA-N
MW288.47 g/mol
LogP6.40
Rot. Bonds11

About 3,3-dimethyldodec-1-en-4-yloxybenzene

3,3-dimethyldodec-1-en-4-yloxybenzene (PubChem CID 158926907) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is 3,3-dimethyldodec-1-en-4-yloxybenzene.

Molecular Properties

Compound Name3,3-dimethyldodec-1-en-4-yloxybenzene
PubChem CID158926907
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name3,3-dimethyldodec-1-en-4-yloxybenzene
SMILESC=CC(C)(C)C(CCCCCCCC)Oc1ccccc1
InChIInChI=1S/C20H32O/c1-5-7-8-9-10-14-17-19(20(3,4)6-2)21-18-15-12-11-13-16-18/h6,11-13,15-16,19H,2,5,7-10,14,17H2,1,3-4H3
InChIKeyJIOHABSRQOBTSZ-UHFFFAOYSA-N
XLogP6.40
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 ≤ 56.40
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-methyl-3-phenoxyhexadecan-2-amine;hydrochloride
CID 175368556
1,1,1-trifluoropentadecan-2-yloxybenzene
CID 141219706
2-(hydroxymethyl)-2-(1-phenoxynonyl)propane-1,3-diol
CID 70520234
tetracosan-8-yloxybenzene
CID 154135377
decan-2-yloxybenzene
CID 12838331
undecan-6-yloxybenzene
CID 130316504
2-phenoxynonanenitrile
CID 68573362
(2-ethenyl-1,1-diphenoxydecoxy)benzene
CID 150684790
1-phenoxyhexadecan-1-ol
CID 140512988
2-phenoxyundecanal
CID 57130450
1-methoxydecoxybenzene
CID 24977925
(3-bromo-2-methylpentadecan-2-yl)oxybenzene
CID 69017842

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyldodec-1-en-4-yloxybenzene?
The IUPAC name of 3,3-dimethyldodec-1-en-4-yloxybenzene (CID 158926907) is 3,3-dimethyldodec-1-en-4-yloxybenzene.
What is the SMILES notation for 3,3-dimethyldodec-1-en-4-yloxybenzene?
The canonical SMILES for 3,3-dimethyldodec-1-en-4-yloxybenzene is C=CC(C)(C)C(CCCCCCCC)Oc1ccccc1.
What is the InChIKey of 3,3-dimethyldodec-1-en-4-yloxybenzene?
The InChIKey is JIOHABSRQOBTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-5-7-8-9-10-14-17-19(20(3,4)6-2)21-18-15-12-11-13-16-18/h6,11-13,15-16,19H,2,5,7-10,14,17H2,1,3-4H3.
What are the key properties of 3,3-dimethyldodec-1-en-4-yloxybenzene?
3,3-dimethyldodec-1-en-4-yloxybenzene has a molecular weight of 288.47 g/mol, XLogP of 6.40, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyldodec-1-en-4-yloxybenzene is sourced from PubChem (CID 158926907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).