1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene

C38H54O — CID 22676904

IUPAC1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene
SMILESCC(C)=CCC1CCC(C)CC1c1ccccc1COCc1ccccc1C1CC(C)CCC1CC=C(C)C
InChIInChI=1S/C38H54O/c1-27(2)15-19-31-21-17-29(5)23-37(31)35-13-9-7-11-33(35)25-39-26-34-12-8-10-14-36(34)38-24-30(6)18-22-32(38)20-16-28(3)4/h7-16,29-32,37-38H,17-26H2,1-6H3
InChIKeyZOPZWIMVNXIDTI-UHFFFAOYSA-N
MW526.85 g/mol
LogP11.16
Rot. Bonds10

About 1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene

1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene (PubChem CID 22676904) has the molecular formula C38H54O and a molecular weight of 526.85 g/mol. Its IUPAC name is 1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene.

Molecular Properties

Compound Name1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene
PubChem CID22676904
Molecular FormulaC38H54O
Molecular Weight526.85 g/mol
Exact Mass526.42
IUPAC Name1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene
SMILESCC(C)=CCC1CCC(C)CC1c1ccccc1COCc1ccccc1C1CC(C)CCC1CC=C(C)C
InChIInChI=1S/C38H54O/c1-27(2)15-19-31-21-17-29(5)23-37(31)35-13-9-7-11-33(35)25-39-26-34-12-8-10-14-36(34)38-24-30(6)18-22-32(38)20-16-28(3)4/h7-16,29-32,37-38H,17-26H2,1-6H3
InChIKeyZOPZWIMVNXIDTI-UHFFFAOYSA-N
XLogP11.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.85
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene?
The IUPAC name of 1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene (CID 22676904) is 1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene.
What is the SMILES notation for 1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene?
The canonical SMILES for 1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene is CC(C)=CCC1CCC(C)CC1c1ccccc1COCc1ccccc1C1CC(C)CCC1CC=C(C)C.
What is the InChIKey of 1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene?
The InChIKey is ZOPZWIMVNXIDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54O/c1-27(2)15-19-31-21-17-29(5)23-37(31)35-13-9-7-11-33(35)25-39-26-34-12-8-10-14-36(34)38-24-30(6)18-22-32(38)20-16-28(3)4/h7-16,29-32,37-38H,17-26H2,1-6H3.
What are the key properties of 1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene?
1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene has a molecular weight of 526.85 g/mol, XLogP of 11.16, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]-2-[[2-[5-methyl-2-(3-methylbut-2-enyl)cyclohexyl]phenyl]methoxymethyl]benzene is sourced from PubChem (CID 22676904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).