1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene

C18H26 — CID 21025524

IUPAC1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene
SMILESCc1ccc(C=C2CCC(C(C)C)CC2)cc1C
InChIInChI=1S/C18H26/c1-13(2)18-9-7-16(8-10-18)12-17-6-5-14(3)15(4)11-17/h5-6,11-13,18H,7-10H2,1-4H3/b16-12-
InChIKeyPYWVSPSPJKLZQA-VBKFSLOCSA-N
MW242.41 g/mol
LogP5.53
Rot. Bonds2

About 1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene

1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene (PubChem CID 21025524) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene
PubChem CID21025524
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene
SMILESCc1ccc(C=C2CCC(C(C)C)CC2)cc1C
InChIInChI=1S/C18H26/c1-13(2)18-9-7-16(8-10-18)12-17-6-5-14(3)15(4)11-17/h5-6,11-13,18H,7-10H2,1-4H3/b16-12-
InChIKeyPYWVSPSPJKLZQA-VBKFSLOCSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene?
The IUPAC name of 1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene (CID 21025524) is 1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene.
What is the SMILES notation for 1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene?
The canonical SMILES for 1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene is Cc1ccc(C=C2CCC(C(C)C)CC2)cc1C.
What is the InChIKey of 1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene?
The InChIKey is PYWVSPSPJKLZQA-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H26/c1-13(2)18-9-7-16(8-10-18)12-17-6-5-14(3)15(4)11-17/h5-6,11-13,18H,7-10H2,1-4H3/b16-12-.
What are the key properties of 1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene?
1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene has a molecular weight of 242.41 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene is sourced from PubChem (CID 21025524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).