(7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate

C23H46O3 — CID 118461027

IUPAC(7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate
SMILESCCCC(C)CC(OC(C)=O)C(C)(CC)C(C)(CC)CC(O)C(C)CC
InChIInChI=1S/C23H46O3/c1-10-14-17(5)15-21(26-19(7)24)23(9,13-4)22(8,12-3)16-20(25)18(6)11-2/h17-18,20-21,25H,10-16H2,1-9H3
InChIKeyRJICZJWOVBYZIC-UHFFFAOYSA-N
MW370.62 g/mol
LogP6.37
Rot. Bonds13

About (7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate

(7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate (PubChem CID 118461027) has the molecular formula C23H46O3 and a molecular weight of 370.62 g/mol. Its IUPAC name is (7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate.

Molecular Properties

Compound Name(7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate
PubChem CID118461027
Molecular FormulaC23H46O3
Molecular Weight370.62 g/mol
Exact Mass370.34
IUPAC Name(7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate
SMILESCCCC(C)CC(OC(C)=O)C(C)(CC)C(C)(CC)CC(O)C(C)CC
InChIInChI=1S/C23H46O3/c1-10-14-17(5)15-21(26-19(7)24)23(9,13-4)22(8,12-3)16-20(25)18(6)11-2/h17-18,20-21,25H,10-16H2,1-9H3
InChIKeyRJICZJWOVBYZIC-UHFFFAOYSA-N
XLogP6.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-diethyl-6-hydroxy-3,4,7-trimethylnonan-2-yl) acetate
CID 146262073
3,6-dimethylnonan-4-ol
CID 56626033
(2-hydroxy-2-methylhexan-3-yl) acetate
CID 140977252
[(3S,4S)-4,6,6-trihydroxy-4-methylhexan-3-yl] acetate
CID 5287445
4,10-dimethyltridecan-7-yl acetate
CID 87224928
3,3-dimethylpentan-2-yl acetate
CID 55253134
6-ethyl-3-methylnonane-4,6-diol
CID 87743551
2-methyl-2-(2-methylpentylsulfanyl)propanoic acid
CID 81223418
chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate
CID 88738634
azane;pentan-2-yl acetate
CID 174372937
2-bromo-2,5-dimethylheptan-4-ol
CID 18920894
5-hydroxyheptan-2-yl acetate
CID 22892695

Frequently Asked Questions

What is the IUPAC name of (7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate?
The IUPAC name of (7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate (CID 118461027) is (7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate.
What is the SMILES notation for (7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate?
The canonical SMILES for (7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate is CCCC(C)CC(OC(C)=O)C(C)(CC)C(C)(CC)CC(O)C(C)CC.
What is the InChIKey of (7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate?
The InChIKey is RJICZJWOVBYZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O3/c1-10-14-17(5)15-21(26-19(7)24)23(9,13-4)22(8,12-3)16-20(25)18(6)11-2/h17-18,20-21,25H,10-16H2,1-9H3.
What are the key properties of (7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate?
(7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate has a molecular weight of 370.62 g/mol, XLogP of 6.37, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-diethyl-10-hydroxy-4,7,8,11-tetramethyltridecan-6-yl) acetate is sourced from PubChem (CID 118461027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).