trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol

C23H38O4 — CID 143238762

About trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol

trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol (PubChem CID 143238762) has the molecular formula C23H38O4 and a molecular weight of 378.55 g/mol. Its IUPAC name is trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol.

Molecular Properties

• Compound Name: trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol
• PubChem CID: 143238762
• Molecular Formula: C23H38O4
• Molecular Weight: 378.55 g/mol
• Exact Mass: 378.28
• IUPAC Name: trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol
• SMILES: CC(C)(O)COC1CCC2(CCC/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)C2)CC1
• InChI: InChI=1S/C23H38O4/c1-22(2,26)16-27-21-7-10-23(11-8-21)9-3-4-17(15-23)5-6-18-12-19(24)14-20(25)13-18/h5-6,19-21,24-26H,3-4,7-16H2,1-2H3/b17-5-/t19-,20-,21?,23?/m1/s1
• InChIKey: SBSIZOXEFZMPET-KQTZIWQYSA-N
• XLogP: 4.04
• TPSA: 69.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.55
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol?

The IUPAC name of trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol (CID 143238762) is trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol.

What is the SMILES notation for trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol?

The canonical SMILES for trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol is CC(C)(O)COC1CCC2(CCC/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)C2)CC1.

What is the InChIKey of trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol?

The InChIKey is SBSIZOXEFZMPET-KQTZIWQYSA-N. The full InChI is InChI=1S/C23H38O4/c1-22(2,26)16-27-21-7-10-23(11-8-21)9-3-4-17(15-23)5-6-18-12-19(24)14-20(25)13-18/h5-6,19-21,24-26H,3-4,7-16H2,1-2H3/b17-5-/t19-,20-,21?,23?/m1/s1.

What are the key properties of trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol?

trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol has a molecular weight of 378.55 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol is sourced from PubChem (CID 143238762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).