methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

C31H62O3 — CID 162032008

About methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol (PubChem CID 162032008) has the molecular formula C31H62O3 and a molecular weight of 482.83 g/mol. Its IUPAC name is methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol.

Molecular Properties

• Compound Name: methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
• PubChem CID: 162032008
• Molecular Formula: C31H62O3
• Molecular Weight: 482.83 g/mol
• Exact Mass: 482.47
• IUPAC Name: methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CO.CC(C)CCCC(C)CCCC(C)CCO.CO
• InChI: InChI=1S/C15H32O.C15H26O.CH4O/c2*1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-2/h13-16H,5-12H2,1-4H3;7,9,11,16H,5-6,8,10,12H2,1-4H3;2H,1H3/b;14-9+,15-11+
• InChIKey: YWDNIWNZTAITNH-BAZMJXSDSA-N
• XLogP: 8.64
• TPSA: 60.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.83
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol?

The IUPAC name of methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol (CID 162032008) is methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol.

What is the SMILES notation for methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol?

The canonical SMILES for methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CO.CC(C)CCCC(C)CCCC(C)CCO.CO.

What is the InChIKey of methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol?

The InChIKey is YWDNIWNZTAITNH-BAZMJXSDSA-N. The full InChI is InChI=1S/C15H32O.C15H26O.CH4O/c2*1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-2/h13-16H,5-12H2,1-4H3;7,9,11,16H,5-6,8,10,12H2,1-4H3;2H,1H3/b;14-9+,15-11+;.

What are the key properties of methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol?

methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol has a molecular weight of 482.83 g/mol, XLogP of 8.64, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol is sourced from PubChem (CID 162032008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).