(5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol

C29H48O2 — CID 143287006

About (5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol

(5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol (PubChem CID 143287006) has the molecular formula C29H48O2 and a molecular weight of 428.70 g/mol. Its IUPAC name is (5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol.

Molecular Properties

• Compound Name: (5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol
• PubChem CID: 143287006
• Molecular Formula: C29H48O2
• Molecular Weight: 428.70 g/mol
• Exact Mass: 428.37
• IUPAC Name: (5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol
• SMILES: C=CC(O)(CC)CC.CC(C)C1=CCC2/C(=C/C=C3/CCC(C)C(O)C3)CCCC12C
• InChI: InChI=1S/C22H34O.C7H14O/c1-15(2)19-11-12-20-18(6-5-13-22(19,20)4)10-9-17-8-7-16(3)21(23)14-17;1-4-7(8,5-2)6-3/h9-11,15-16,20-21,23H,5-8,12-14H2,1-4H3;4,8H,1,5-6H2,2-3H3/b17-9-,18-10+
• InChIKey: LEQTZWCROMEBEU-LRNQZZQQSA-N
• XLogP: 7.54
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.70
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol?

The IUPAC name of (5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol (CID 143287006) is (5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol.

What is the SMILES notation for (5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol?

The canonical SMILES for (5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol is C=CC(O)(CC)CC.CC(C)C1=CCC2/C(=C/C=C3/CCC(C)C(O)C3)CCCC12C.

What is the InChIKey of (5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol?

The InChIKey is LEQTZWCROMEBEU-LRNQZZQQSA-N. The full InChI is InChI=1S/C22H34O.C7H14O/c1-15(2)19-11-12-20-18(6-5-13-22(19,20)4)10-9-17-8-7-16(3)21(23)14-17;1-4-7(8,5-2)6-3/h9-11,15-16,20-21,23H,5-8,12-14H2,1-4H3;4,8H,1,5-6H2,2-3H3/b17-9-,18-10+;.

What are the key properties of (5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol?

(5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol has a molecular weight of 428.70 g/mol, XLogP of 7.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(2E)-2-(7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene)ethylidene]-2-methylcyclohexan-1-ol;3-ethylpent-1-en-3-ol is sourced from PubChem (CID 143287006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).