1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene

C24H34 — CID 54002982

IUPAC1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene
SMILESCC(C)CCCCCc1ccccc1-c1ccccc1C(C)(C)C
InChIInChI=1S/C24H34/c1-19(2)13-7-6-8-14-20-15-9-10-16-21(20)22-17-11-12-18-23(22)24(3,4)5/h9-12,15-19H,6-8,13-14H2,1-5H3
InChIKeyFPNPVRJENOOYQS-UHFFFAOYSA-N
MW322.54 g/mol
LogP7.41
Rot. Bonds7

About 1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene

1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene (PubChem CID 54002982) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene
PubChem CID54002982
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene
SMILESCC(C)CCCCCc1ccccc1-c1ccccc1C(C)(C)C
InChIInChI=1S/C24H34/c1-19(2)13-7-6-8-14-20-15-9-10-16-21(20)22-17-11-12-18-23(22)24(3,4)5/h9-12,15-19H,6-8,13-14H2,1-5H3
InChIKeyFPNPVRJENOOYQS-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 57.41
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

carbonic acid;1-(6-methylheptyl)-2-phenylbenzene
CID 159621881
2-(10-methylundecyl)benzenesulfonic acid
CID 14767697
N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine
CID 166029248
2,6-bis(6-methylheptyl)phenol
CID 14252215
2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol
CID 66867497
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
5-(10-methylundecyl)-2-(2-nonylphenyl)pyrimidine
CID 139601653
2-(5-methylhexyl)benzenesulfonic acid
CID 6455580
7-methyloctyl 2-(7-methyloctyl)benzenesulfonate
CID 174325907
12-[2-(2-chloropropan-2-yl)phenyl]dodecan-2-ol
CID 171616614
4-(10-methylundecyl)-2-benzofuran-1,3-dione
CID 87987422
2-(6-methylheptyl)benzoic acid
CID 23133407

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene?
The IUPAC name of 1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene (CID 54002982) is 1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene.
What is the SMILES notation for 1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene?
The canonical SMILES for 1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene is CC(C)CCCCCc1ccccc1-c1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene?
The InChIKey is FPNPVRJENOOYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-19(2)13-7-6-8-14-20-15-9-10-16-21(20)22-17-11-12-18-23(22)24(3,4)5/h9-12,15-19H,6-8,13-14H2,1-5H3.
What are the key properties of 1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene?
1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene has a molecular weight of 322.54 g/mol, XLogP of 7.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(6-methylheptyl)phenyl]benzene is sourced from PubChem (CID 54002982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).