1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane

C17H32O2 — CID 137428589

IUPAC1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane
SMILESCCCOC1CCC(OCC2CCC(C)CC2)CC1
InChIInChI=1S/C17H32O2/c1-3-12-18-16-8-10-17(11-9-16)19-13-15-6-4-14(2)5-7-15/h14-17H,3-13H2,1-2H3
InChIKeyBWSDZDWKYJTAHD-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.57
Rot. Bonds6

About 1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane

1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane (PubChem CID 137428589) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane
PubChem CID137428589
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane
SMILESCCCOC1CCC(OCC2CCC(C)CC2)CC1
InChIInChI=1S/C17H32O2/c1-3-12-18-16-8-10-17(11-9-16)19-13-15-6-4-14(2)5-7-15/h14-17H,3-13H2,1-2H3
InChIKeyBWSDZDWKYJTAHD-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886280
1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane
CID 20516714
1-(cyclohexylmethoxy)-4-methylcyclohexane
CID 21137244
1,4-bis(cyclopropylmethoxy)cyclohexane
CID 147967519
1-(cycloheptyloxymethyl)-4-dodecoxycycloheptane
CID 91616970
ethane;1-ethoxy-4-methylcyclohexane
CID 145107105
1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 71106589
1-(bromomethyl)-4-[2-(4-methylcyclohexyl)ethoxy]cyclohexane
CID 89042779
propoxycyclooctane
CID 54078990
(4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 159023786
1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
CID 22886261
[4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen
CID 159848305

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane?
The IUPAC name of 1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane (CID 137428589) is 1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane is CCCOC1CCC(OCC2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane?
The InChIKey is BWSDZDWKYJTAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-3-12-18-16-8-10-17(11-9-16)19-13-15-6-4-14(2)5-7-15/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane?
1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane has a molecular weight of 268.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane is sourced from PubChem (CID 137428589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).