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

C20H34O3 — CID 21242304

IUPAC(6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol
SMILESC=C(C)C(O)CC/C(C)=C\CC/C(C)=C\COC1CCCCO1
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/b17-8-,18-13-
InChIKeyUNWDHEHTEHNETI-VXKKKROUSA-N
MW322.49 g/mol
LogP4.92
Rot. Bonds10

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

(6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol (PubChem CID 21242304) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol.

Molecular Properties

Compound Name(6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol
PubChem CID21242304
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol
SMILESC=C(C)C(O)CC/C(C)=C\CC/C(C)=C\COC1CCCCO1
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/b17-8-,18-13-
InChIKeyUNWDHEHTEHNETI-VXKKKROUSA-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 (6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol?
The IUPAC name of (6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol (CID 21242304) is (6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol.
What is the SMILES notation for (6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol?
The canonical SMILES for (6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol is C=C(C)C(O)CC/C(C)=C\CC/C(C)=C\COC1CCCCO1.
What is the InChIKey of (6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol?
The InChIKey is UNWDHEHTEHNETI-VXKKKROUSA-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/b17-8-,18-13-.
What are the key properties of (6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol?
(6Z,10Z)-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 (6Z,10Z)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol is sourced from PubChem (CID 21242304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).