1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene

C16H22 — CID 170701365

IUPAC1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene
SMILESCC/C=C(C)\C=C/CCc1ccc(C)cc1
InChIInChI=1S/C16H22/c1-4-7-14(2)8-5-6-9-16-12-10-15(3)11-13-16/h5,7-8,10-13H,4,6,9H2,1-3H3/b8-5-,14-7-
InChIKeyDLPXVVJFRCJQCE-ADNURMQWSA-N
MW214.35 g/mol
LogP4.84
Rot. Bonds5

About 1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene

1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene (PubChem CID 170701365) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene
PubChem CID170701365
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene
SMILESCC/C=C(C)\C=C/CCc1ccc(C)cc1
InChIInChI=1S/C16H22/c1-4-7-14(2)8-5-6-9-16-12-10-15(3)11-13-16/h5,7-8,10-13H,4,6,9H2,1-3H3/b8-5-,14-7-
InChIKeyDLPXVVJFRCJQCE-ADNURMQWSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[(E)-hex-3-enyl]phenyl]ethynyl]-4-(4-methylphenyl)benzene
CID 139764861
(3E)-4-methyldeca-3,5-diene
CID 173452678
(E)-1-(4-methylphenyl)-5-phenylpent-2-en-1-one
CID 162644983
1-methyl-4-(6,6,6-trifluorohex-3-enyl)benzene
CID 139667131
(2E,4E)-4-methylhepta-2,4-dien-1-ol
CID 10654230
ethyl 5-(4-methoxyphenyl)pent-2-enoate
CID 66971568
N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 88855641
3-[4-(4-methylphenyl)phenyl]propanal
CID 145376842
4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene
CID 163775080
1-(4-methylphenyl)-N-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
CID 70190165
1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene
CID 145203948
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene?
The IUPAC name of 1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene (CID 170701365) is 1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene.
What is the SMILES notation for 1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene?
The canonical SMILES for 1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene is CC/C=C(C)\C=C/CCc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene?
The InChIKey is DLPXVVJFRCJQCE-ADNURMQWSA-N. The full InChI is InChI=1S/C16H22/c1-4-7-14(2)8-5-6-9-16-12-10-15(3)11-13-16/h5,7-8,10-13H,4,6,9H2,1-3H3/b8-5-,14-7-.
What are the key properties of 1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene?
1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene has a molecular weight of 214.35 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene is sourced from PubChem (CID 170701365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).