3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane

C20H42O — CID 139480158

IUPAC3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane
SMILESCCC(C)(C)OCCC(C)CCCC(C)(C)C(C)(C)CC
InChIInChI=1S/C20H42O/c1-10-18(4,5)19(6,7)15-12-13-17(3)14-16-21-20(8,9)11-2/h17H,10-16H2,1-9H3
InChIKeyIGGNSKKYNLBCQO-UHFFFAOYSA-N
MW298.56 g/mol
LogP6.85
Rot. Bonds11

About 3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane

3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane (PubChem CID 139480158) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is 3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane.

Molecular Properties

Compound Name3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane
PubChem CID139480158
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Name3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane
SMILESCCC(C)(C)OCCC(C)CCCC(C)(C)C(C)(C)CC
InChIInChI=1S/C20H42O/c1-10-18(4,5)19(6,7)15-12-13-17(3)14-16-21-20(8,9)11-2/h17H,10-16H2,1-9H3
InChIKeyIGGNSKKYNLBCQO-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol
CID 90834044
7-[7-(6-hydroxyhexoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctan-1-ol
CID 155653781
7-[6-(8-hydroxy-2,6-dimethyloctan-2-yl)oxyhexoxy]-3,7-dimethyloctan-1-ol;7-(6-hydroxyhexoxy)-3,7-dimethyloctan-1-ol;7-[7-(6-hydroxyhexoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctan-1-ol
CID 159888047
2-amino-2-methyl-5-(2-methylbutan-2-yloxy)pentan-1-ol
CID 64802128
1,10-bis(2-methylbutan-2-yloxy)decane
CID 171725385
3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane
CID 90932083
14-methoxy-2,6,10,14-tetramethylhexadecane
CID 91173941
3-methyl-3-(3-methylpentoxy)butan-1-amine
CID 89007846
10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene
CID 162304034
3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol
CID 123491559
1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane
CID 89355930
3-methoxy-3,7-dimethylnonane
CID 118351298

Frequently Asked Questions

What is the IUPAC name of 3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane?
The IUPAC name of 3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane (CID 139480158) is 3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane.
What is the SMILES notation for 3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane?
The canonical SMILES for 3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane is CCC(C)(C)OCCC(C)CCCC(C)(C)C(C)(C)CC.
What is the InChIKey of 3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane?
The InChIKey is IGGNSKKYNLBCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-10-18(4,5)19(6,7)15-12-13-17(3)14-16-21-20(8,9)11-2/h17H,10-16H2,1-9H3.
What are the key properties of 3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane?
3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane has a molecular weight of 298.56 g/mol, XLogP of 6.85, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane is sourced from PubChem (CID 139480158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).