(1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol

C22H34O2 — CID 142026019

About (1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol

(1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol (PubChem CID 142026019) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is (1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol.

Molecular Properties

• Compound Name: (1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol
• PubChem CID: 142026019
• Molecular Formula: C22H34O2
• Molecular Weight: 330.51 g/mol
• Exact Mass: 330.26
• IUPAC Name: (1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol
• SMILES: C/C=C1\CC[C@H](O)C\C1=C\C=C1/CCCC2(C)C1CCC2[C@H](C)O
• InChI: InChI=1S/C22H34O2/c1-4-16-9-10-19(24)14-18(16)8-7-17-6-5-13-22(3)20(15(2)23)11-12-21(17)22/h4,7-8,15,19-21,23-24H,5-6,9-14H2,1-3H3/b16-4+,17-7+,18-8-/t15-,19-,20?,21?,22?/m0/s1
• InChIKey: YRJFJGFGGMOOCD-PTUKYZCVSA-N
• XLogP: 4.93
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.51
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol?

The IUPAC name of (1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol (CID 142026019) is (1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol.

What is the SMILES notation for (1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol?

The canonical SMILES for (1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol is C/C=C1\CC[C@H](O)C\C1=C\C=C1/CCCC2(C)C1CCC2[C@H](C)O.

What is the InChIKey of (1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol?

The InChIKey is YRJFJGFGGMOOCD-PTUKYZCVSA-N. The full InChI is InChI=1S/C22H34O2/c1-4-16-9-10-19(24)14-18(16)8-7-17-6-5-13-22(3)20(15(2)23)11-12-21(17)22/h4,7-8,15,19-21,23-24H,5-6,9-14H2,1-3H3/b16-4+,17-7+,18-8-/t15-,19-,20?,21?,22?/m0/s1.

What are the key properties of (1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol?

(1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol has a molecular weight of 330.51 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,3Z,4E)-4-ethylidene-3-[(2E)-2-[1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol is sourced from PubChem (CID 142026019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).