ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene

C23H44O2 — CID 143806811

IUPACethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene
SMILESCC.CC.CC.COCC(C)(C)CC/C=C/c1cc(C)ccc1OC
InChIInChI=1S/C17H26O2.3C2H6/c1-14-9-10-16(19-5)15(12-14)8-6-7-11-17(2,3)13-18-4;3*1-2/h6,8-10,12H,7,11,13H2,1-5H3;3*1-2H3/b8-6+;;;
InChIKeyDVEIFNYGUHKMSL-LGSAIMRHSA-N
MW352.60 g/mol
LogP7.55
Rot. Bonds7

About ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene

ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene (PubChem CID 143806811) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene.

Molecular Properties

Compound Nameethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene
PubChem CID143806811
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Nameethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene
SMILESCC.CC.CC.COCC(C)(C)CC/C=C/c1cc(C)ccc1OC
InChIInChI=1S/C17H26O2.3C2H6/c1-14-9-10-16(19-5)15(12-14)8-6-7-11-17(2,3)13-18-4;3*1-2/h6,8-10,12H,7,11,13H2,1-5H3;3*1-2H3/b8-6+;;;
InChIKeyDVEIFNYGUHKMSL-LGSAIMRHSA-N
XLogP7.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene 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

ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol
CID 143822201
ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene
CID 143806665
ethane;1-methoxy-2-[(E)-7-methoxyhept-1-enyl]-4-methylbenzene
CID 143822214
ethane;1-methoxy-2-[(E)-7-methoxyhept-1-enyl]-4-methylbenzene
CID 143806752
(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
CID 143867297
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
CID 169477246
ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol
CID 143867312
tert-butyl N-[4-(2-methoxy-5-methylphenyl)but-3-enyl]carbamate
CID 170490365
(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol
CID 143867243
(E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol
CID 143867345
4-(2-methoxy-4-methylphenyl)but-3-ene-1-thiol
CID 170478230
4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene
CID 79019088

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene?
The IUPAC name of ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene (CID 143806811) is ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene.
What is the SMILES notation for ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene?
The canonical SMILES for ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene is CC.CC.CC.COCC(C)(C)CC/C=C/c1cc(C)ccc1OC.
What is the InChIKey of ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene?
The InChIKey is DVEIFNYGUHKMSL-LGSAIMRHSA-N. The full InChI is InChI=1S/C17H26O2.3C2H6/c1-14-9-10-16(19-5)15(12-14)8-6-7-11-17(2,3)13-18-4;3*1-2/h6,8-10,12H,7,11,13H2,1-5H3;3*1-2H3/b8-6+;;;.
What are the key properties of ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene?
ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene has a molecular weight of 352.60 g/mol, XLogP of 7.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene is sourced from PubChem (CID 143806811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).