[(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene

C17H26O2 — CID 19985308

IUPAC[(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene
SMILESCOCC(C/C=C/c1ccccc1)(COC)C(C)C
InChIInChI=1S/C17H26O2/c1-15(2)17(13-18-3,14-19-4)12-8-11-16-9-6-5-7-10-16/h5-11,15H,12-14H2,1-4H3/b11-8+
InChIKeyPBUBWLKNWNWWGC-DHZHZOJOSA-N
MW262.39 g/mol
LogP4.03
Rot. Bonds8

About [(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene

[(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene (PubChem CID 19985308) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene
PubChem CID19985308
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene
SMILESCOCC(C/C=C/c1ccccc1)(COC)C(C)C
InChIInChI=1S/C17H26O2/c1-15(2)17(13-18-3,14-19-4)12-8-11-16-9-6-5-7-10-16/h5-11,15H,12-14H2,1-4H3/b11-8+
InChIKeyPBUBWLKNWNWWGC-DHZHZOJOSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[(E)-2-methyl-5-phenylpent-4-en-2-yl]benzene
CID 5370792
4-chloropent-1-enylbenzene
CID 66808272
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine
CID 77055971
1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene
CID 70251776
(E)-5-phenylpent-4-en-2-amine
CID 55254237
4-methyl-1-phenyl-3-propan-2-ylpent-1-en-3-amine
CID 123362141
1-methoxyethoxy(3-phenylprop-2-enyl)silane
CID 173472568
benzene;but-1-enylbenzene
CID 157481332

Frequently Asked Questions

What is the IUPAC name of [(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene?
The IUPAC name of [(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene (CID 19985308) is [(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene.
What is the SMILES notation for [(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene?
The canonical SMILES for [(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene is COCC(C/C=C/c1ccccc1)(COC)C(C)C.
What is the InChIKey of [(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene?
The InChIKey is PBUBWLKNWNWWGC-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H26O2/c1-15(2)17(13-18-3,14-19-4)12-8-11-16-9-6-5-7-10-16/h5-11,15H,12-14H2,1-4H3/b11-8+.
What are the key properties of [(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene?
[(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene has a molecular weight of 262.39 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene is sourced from PubChem (CID 19985308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).