1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane

C19H36O — CID 565313

IUPAC1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(COC)CC2)CC1
InChIInChI=1S/C19H36O/c1-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(10-14-19)15-20-2/h16-19H,3-15H2,1-2H3
InChIKeyIGEQYNHAJQNCAL-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.83
Rot. Bonds7

About 1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane

1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane (PubChem CID 565313) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane
PubChem CID565313
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(COC)CC2)CC1
InChIInChI=1S/C19H36O/c1-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(10-14-19)15-20-2/h16-19H,3-15H2,1-2H3
InChIKeyIGEQYNHAJQNCAL-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(trans,trans)-4-Propoxy-4'-propyl-1,1'-bicyclohexyl
CID 545355
1-Methoxy-4-(4-propylcyclohexyl)cyclohexane
CID 556851
1,1'-Bicyclohexyl, 4-methoxy-4'-pentyl-
CID 556870
1-Ethoxy-4-(4-pentylcyclohexyl)cyclohexane
CID 559127
(trans,trans)-4-Ethoxy-4'-propyl-1,1'-bicyclohexyl
CID 559130
1-[(4-Pentylcyclohexoxy)methyl]-4-(4-propylcyclohexyl)cyclohexane
CID 22886322
(trans,trans)-4-Propyl-4a(2)-[[(trans-4-propylcyclohexyl)oxy]methyl]-1,1a(2)-bicyclohexyl
CID 22886327
1-Tert-butyl-4-(methoxymethyl)cyclohexane
CID 134855077
1,1'-Bicyclohexyl, 4-(methoxymethyl)-4'-propyl-
CID 565325
Dimenthyl ether
CID 23139786
trans-7-(Methoxymethyl)menthane
CID 91441021
(trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-methanol
CID 11230165

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of 1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane (CID 565313) is 1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane is CCCCCC1CCC(C2CCC(COC)CC2)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is IGEQYNHAJQNCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(10-14-19)15-20-2/h16-19H,3-15H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane?
1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 280.50 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 565313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).