5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol

C23H46O2 — CID 90981901

IUPAC5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol
SMILESCC=CC(C)C(C(C)C(C)CC(C)CC)C(O)(CC)CCC(C)CO
InChIInChI=1S/C23H46O2/c1-9-12-19(6)22(21(8)20(7)15-17(4)10-2)23(25,11-3)14-13-18(5)16-24/h9,12,17-22,24-25H,10-11,13-16H2,1-8H3
InChIKeyGIHYUEQMKPZTIM-UHFFFAOYSA-N
MW354.62 g/mol
LogP6.07
Rot. Bonds13

About 5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol

5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol (PubChem CID 90981901) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol.

Molecular Properties

Compound Name5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol
PubChem CID90981901
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Name5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol
SMILESCC=CC(C)C(C(C)C(C)CC(C)CC)C(O)(CC)CCC(C)CO
InChIInChI=1S/C23H46O2/c1-9-12-19(6)22(21(8)20(7)15-17(4)10-2)23(25,11-3)14-13-18(5)16-24/h9,12,17-22,24-25H,10-11,13-16H2,1-8H3
InChIKeyGIHYUEQMKPZTIM-UHFFFAOYSA-N
XLogP6.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol?
The IUPAC name of 5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol (CID 90981901) is 5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol.
What is the SMILES notation for 5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol?
The canonical SMILES for 5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol is CC=CC(C)C(C(C)C(C)CC(C)CC)C(O)(CC)CCC(C)CO.
What is the InChIKey of 5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol?
The InChIKey is GIHYUEQMKPZTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2/c1-9-12-19(6)22(21(8)20(7)15-17(4)10-2)23(25,11-3)14-13-18(5)16-24/h9,12,17-22,24-25H,10-11,13-16H2,1-8H3.
What are the key properties of 5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol?
5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol has a molecular weight of 354.62 g/mol, XLogP of 6.07, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,7,8,10-tetramethyl-6-pent-3-en-2-yldodecane-1,5-diol is sourced from PubChem (CID 90981901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).