methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene

C19H28 — CID 143415322

IUPACmethane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene
SMILESC.CCCCCC1=CC=C(c2ccc(C)cc2)CC1
InChIInChI=1S/C18H24.CH4/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;/h7-9,11-13H,3-6,10,14H2,1-2H3;1H4
InChIKeyRROSSEQVSIIEQD-UHFFFAOYSA-N
MW256.43 g/mol
LogP6.32
Rot. Bonds5

About methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene

methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene (PubChem CID 143415322) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Namemethane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene
PubChem CID143415322
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Namemethane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene
SMILESC.CCCCCC1=CC=C(c2ccc(C)cc2)CC1
InChIInChI=1S/C18H24.CH4/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;/h7-9,11-13H,3-6,10,14H2,1-2H3;1H4
InChIKeyRROSSEQVSIIEQD-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-5-(4-pentylcyclohexa-1,3-dien-1-yl)benzene
CID 19005447
4-(4-butylcyclohexa-1,3-dien-1-yl)-2,6-difluorobenzonitrile
CID 19005630
1-bromo-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene
CID 71068147
1-methyl-4-octylbenzene
CID 11052746
(4-cyanophenyl) 2,6-difluoro-4-(4-octylcyclohexa-1,3-dien-1-yl)benzoate
CID 19005402
calcium;hydride;4-pentyl-2,3-dihydropyridine
CID 173418730
formaldehyde;hexane;1,4-xylene
CID 143308406
2-(4-butylcyclohexa-1,3-dien-1-yl)-4-cyclohexyl-1,3-diazete
CID 126635995
cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene
CID 161488125
4-pentylcyclohex-3-en-1-one
CID 15219552
1-pentylcyclopropene
CID 159067584
5-hexyl-2-[4-(4-methylphenyl)phenyl]pyrimidine
CID 22090391

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene?
The IUPAC name of methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene (CID 143415322) is methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene.
What is the SMILES notation for methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene?
The canonical SMILES for methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene is C.CCCCCC1=CC=C(c2ccc(C)cc2)CC1.
What is the InChIKey of methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene?
The InChIKey is RROSSEQVSIIEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.CH4/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;/h7-9,11-13H,3-6,10,14H2,1-2H3;1H4.
What are the key properties of methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene?
methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene has a molecular weight of 256.43 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene is sourced from PubChem (CID 143415322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).