cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol

C20H38O2 — CID 126621242

About cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol

cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol (PubChem CID 126621242) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

• Compound Name: cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol
• PubChem CID: 126621242
• Molecular Formula: C20H38O2
• Molecular Weight: 310.52 g/mol
• Exact Mass: 310.29
• IUPAC Name: cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol
• SMILES: CC1CC[C@H](C(C)C)C(OC2C[C@@H](C)C[C@@H](O)C2C(C)C)C1
• InChI: InChI=1S/C20H38O2/c1-12(2)16-8-7-14(5)10-18(16)22-19-11-15(6)9-17(21)20(19)13(3)4/h12-21H,7-11H2,1-6H3/t14?,15-,16+,17+,18?,19?,20?/m0/s1
• InChIKey: SQSUMDMEKYZDIV-UMVQNNQFSA-N
• XLogP: 4.90
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.52
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol?

The IUPAC name of cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol (CID 126621242) is cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol.

What is the SMILES notation for cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol?

The canonical SMILES for cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol is CC1CC[C@H](C(C)C)C(OC2C[C@@H](C)C[C@@H](O)C2C(C)C)C1.

What is the InChIKey of cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol?

The InChIKey is SQSUMDMEKYZDIV-UMVQNNQFSA-N. The full InChI is InChI=1S/C20H38O2/c1-12(2)16-8-7-14(5)10-18(16)22-19-11-15(6)9-17(21)20(19)13(3)4/h12-21H,7-11H2,1-6H3/t14?,15-,16+,17+,18?,19?,20?/m0/s1.

What are the key properties of cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol?

cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 310.52 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 126621242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).