1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane

C64H110O5 — CID 161145663

About 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane

1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane (PubChem CID 161145663) has the molecular formula C64H110O5 and a molecular weight of 959.58 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane
• PubChem CID: 161145663
• Molecular Formula: C64H110O5
• Molecular Weight: 959.58 g/mol
• Exact Mass: 958.84
• IUPAC Name: 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane
• SMILES: CCOC12CC3CC(CC(C3)C1)C2.CCOC1C2CC3CC(C2)CC1C3.CCOC1CCCC(C2CCCCC2)C1.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1C2CC3CC(C2)CC1C3
• InChI: InChI=1S/C14H26O.2C13H22O.2C12H20O/c1-2-15-14-10-6-9-13(11-14)12-7-4-3-5-8-12;1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2-14-8-13-11-4-9-3-10(6-11)7-12(13)5-9;1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h12-14H,2-11H2,1H3;10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3
• InChIKey: UNZZJAVDTLKFHT-UHFFFAOYSA-N
• XLogP: 16.34
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.58
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane?

The IUPAC name of 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane (CID 161145663) is 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane.

What is the SMILES notation for 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane?

The canonical SMILES for 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane is CCOC12CC3CC(CC(C3)C1)C2.CCOC1C2CC3CC(C2)CC1C3.CCOC1CCCC(C2CCCCC2)C1.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1C2CC3CC(C2)CC1C3.

What is the InChIKey of 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane?

The InChIKey is UNZZJAVDTLKFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O.2C13H22O.2C12H20O/c1-2-15-14-10-6-9-13(11-14)12-7-4-3-5-8-12;1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2-14-8-13-11-4-9-3-10(6-11)7-12(13)5-9;1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h12-14H,2-11H2,1H3;10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3.

What are the key properties of 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane?

1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane has a molecular weight of 959.58 g/mol, XLogP of 16.34, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane is sourced from PubChem (CID 161145663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).