2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol

C20H34O3 — CID 54363072

IUPAC2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol
SMILESC=C(C)C(O)CCC(C)=CCCC(C)=CCOC1CCCCO1
InChIInChI=1S/C20H34O3/c1-16(2)19(21)12-11-17(3)8-7-9-18(4)13-15-23-20-10-5-6-14-22-20/h8,13,19-21H,1,5-7,9-12,14-15H2,2-4H3
InChIKeyUNWDHEHTEHNETI-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.92
Rot. Bonds10

About 2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol

2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol (PubChem CID 54363072) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol.

Molecular Properties

Compound Name2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol
PubChem CID54363072
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol
SMILESC=C(C)C(O)CCC(C)=CCCC(C)=CCOC1CCCCO1
InChIInChI=1S/C20H34O3/c1-16(2)19(21)12-11-17(3)8-7-9-18(4)13-15-23-20-10-5-6-14-22-20/h8,13,19-21H,1,5-7,9-12,14-15H2,2-4H3
InChIKeyUNWDHEHTEHNETI-UHFFFAOYSA-N
XLogP4.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol?
The IUPAC name of 2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol (CID 54363072) is 2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol.
What is the SMILES notation for 2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol?
The canonical SMILES for 2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol is C=C(C)C(O)CCC(C)=CCCC(C)=CCOC1CCCCO1.
What is the InChIKey of 2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol?
The InChIKey is UNWDHEHTEHNETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-16(2)19(21)12-11-17(3)8-7-9-18(4)13-15-23-20-10-5-6-14-22-20/h8,13,19-21H,1,5-7,9-12,14-15H2,2-4H3.
What are the key properties of 2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol?
2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol has a molecular weight of 322.49 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol is sourced from PubChem (CID 54363072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).