3,7,11-trimethyldodeca-2,6,10-trienoxymethanol

C16H28O2 — CID 173478394

IUPAC3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCOCO
InChIInChI=1S/C16H28O2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-18-13-17/h7,9,11,17H,5-6,8,10,12-13H2,1-4H3
InChIKeyYFVTXZVZIGEYAE-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.37
Rot. Bonds9

About 3,7,11-trimethyldodeca-2,6,10-trienoxymethanol

3,7,11-trimethyldodeca-2,6,10-trienoxymethanol (PubChem CID 173478394) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-2,6,10-trienoxymethanol.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
PubChem CID173478394
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCOCO
InChIInChI=1S/C16H28O2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-18-13-17/h7,9,11,17H,5-6,8,10,12-13H2,1-4H3
InChIKeyYFVTXZVZIGEYAE-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propan-1-ol
CID 14556936
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 102264216
2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene
CID 174355768
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetic acid
CID 12648855
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodeca-2,6,10-trienoxymethanol?
The IUPAC name of 3,7,11-trimethyldodeca-2,6,10-trienoxymethanol (CID 173478394) is 3,7,11-trimethyldodeca-2,6,10-trienoxymethanol.
What is the SMILES notation for 3,7,11-trimethyldodeca-2,6,10-trienoxymethanol?
The canonical SMILES for 3,7,11-trimethyldodeca-2,6,10-trienoxymethanol is CC(C)=CCCC(C)=CCCC(C)=CCOCO.
What is the InChIKey of 3,7,11-trimethyldodeca-2,6,10-trienoxymethanol?
The InChIKey is YFVTXZVZIGEYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-18-13-17/h7,9,11,17H,5-6,8,10,12-13H2,1-4H3.
What are the key properties of 3,7,11-trimethyldodeca-2,6,10-trienoxymethanol?
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol has a molecular weight of 252.40 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-2,6,10-trienoxymethanol is sourced from PubChem (CID 173478394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).