(3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol

C24H40O3 — CID 143238769

About (3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol

(3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol (PubChem CID 143238769) has the molecular formula C24H40O3 and a molecular weight of 376.58 g/mol. Its IUPAC name is (3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol.

Molecular Properties

• Compound Name: (3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol
• PubChem CID: 143238769
• Molecular Formula: C24H40O3
• Molecular Weight: 376.58 g/mol
• Exact Mass: 376.30
• IUPAC Name: (3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol
• SMILES: CC(C)(O)CCOC1CCC2(CCC/C(=C/C=C3\CCCC(O)C3)C2)CC1
• InChI: InChI=1S/C24H40O3/c1-23(2,26)15-16-27-22-10-13-24(14-11-22)12-4-6-20(18-24)9-8-19-5-3-7-21(25)17-19/h8-9,21-22,25-26H,3-7,10-18H2,1-2H3/b19-8+,20-9-
• InChIKey: VQRDHKHAJRTNFM-WWBRWCDLSA-N
• XLogP: 5.45
• TPSA: 49.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.58
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol?

The IUPAC name of (3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol (CID 143238769) is (3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol.

What is the SMILES notation for (3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol?

The canonical SMILES for (3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol is CC(C)(O)CCOC1CCC2(CCC/C(=C/C=C3\CCCC(O)C3)C2)CC1.

What is the InChIKey of (3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol?

The InChIKey is VQRDHKHAJRTNFM-WWBRWCDLSA-N. The full InChI is InChI=1S/C24H40O3/c1-23(2,26)15-16-27-22-10-13-24(14-11-22)12-4-6-20(18-24)9-8-19-5-3-7-21(25)17-19/h8-9,21-22,25-26H,3-7,10-18H2,1-2H3/b19-8+,20-9-.

What are the key properties of (3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol?

(3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol has a molecular weight of 376.58 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol is sourced from PubChem (CID 143238769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).