1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane

C45H84 — CID 173420851

IUPAC1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C)CC2)CC1.CCC1CCC(C2CCC(C)CC2)CC1.CCCC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H30.C15H28.C14H26/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;11-14H,3-10H2,1-2H3
InChIKeyPYZRFORYTMIMDD-UHFFFAOYSA-N
MW625.17 g/mol
LogP15.09
Rot. Bonds6

About 1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane

1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 173420851) has the molecular formula C45H84 and a molecular weight of 625.17 g/mol. Its IUPAC name is 1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
PubChem CID173420851
Molecular FormulaC45H84
Molecular Weight625.17 g/mol
Exact Mass624.66
IUPAC Name1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C)CC2)CC1.CCC1CCC(C2CCC(C)CC2)CC1.CCCC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H30.C15H28.C14H26/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;11-14H,3-10H2,1-2H3
InChIKeyPYZRFORYTMIMDD-UHFFFAOYSA-N
XLogP15.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.17
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
CID 22886261
1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886280
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane
CID 166536374
1-methyl-4-propylcycloheptane
CID 90967653
1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
CID 154678997
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane (CID 173420851) is 1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane is CC1CCC(C2CCC(C)CC2)CC1.CCC1CCC(C2CCC(C)CC2)CC1.CCCC1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is PYZRFORYTMIMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.C15H28.C14H26/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;11-14H,3-10H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane?
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 625.17 g/mol, XLogP of 15.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 173420851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).