1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane

C17H32O — CID 565325

IUPAC1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(COC)CC2)CC1
InChIInChI=1S/C17H32O/c1-3-4-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18-2/h14-17H,3-13H2,1-2H3
InChIKeyXZQPENLZKROMTQ-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.05
Rot. Bonds5

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

1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 565325) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID565325
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(COC)CC2)CC1
InChIInChI=1S/C17H32O/c1-3-4-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18-2/h14-17H,3-13H2,1-2H3
InChIKeyXZQPENLZKROMTQ-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
4-(Methoxymethyl)-4'-pentyl-1,1'-bi(cyclohexane)
CID 565313
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
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-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane (CID 565325) is 1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(COC)CC2)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is XZQPENLZKROMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-3-4-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18-2/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane?
1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 252.44 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 565325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).