2,9-dimethyl-5,6-bis(3-methylbutyl)decane

C22H46 — CID 139994880

IUPAC2,9-dimethyl-5,6-bis(3-methylbutyl)decane
SMILESCC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C
InChIInChI=1S/C22H46/c1-17(2)9-13-21(14-10-18(3)4)22(15-11-19(5)6)16-12-20(7)8/h17-22H,9-16H2,1-8H3
InChIKeyBYIWEZIVKROSFA-UHFFFAOYSA-N
MW310.61 g/mol
LogP7.96
Rot. Bonds13

About 2,9-dimethyl-5,6-bis(3-methylbutyl)decane

2,9-dimethyl-5,6-bis(3-methylbutyl)decane (PubChem CID 139994880) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 2,9-dimethyl-5,6-bis(3-methylbutyl)decane.

Molecular Properties

Compound Name2,9-dimethyl-5,6-bis(3-methylbutyl)decane
PubChem CID139994880
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name2,9-dimethyl-5,6-bis(3-methylbutyl)decane
SMILESCC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C
InChIInChI=1S/C22H46/c1-17(2)9-13-21(14-10-18(3)4)22(15-11-19(5)6)16-12-20(7)8/h17-22H,9-16H2,1-8H3
InChIKeyBYIWEZIVKROSFA-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
4-ethyl-2,8-dimethyl-5-propylnonane
CID 143343075
2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
CID 158252913
(Z)-but-2-ene;2,5-dimethylhexane
CID 144935211
3-ethyl-2,6,9-trimethyldecane
CID 91256736
2,5,8-trimethyl-4-(2-methylpropyl)nonane
CID 18961431
5-butyl-2,6-dimethyldecane
CID 123775332
4-methylpentane-1,1-dithiol
CID 56991660
5-methylhexane-2-thiol
CID 43124113
CID 59806480
CID 59806480
2,5-dimethylhexane;(E)-2,5-dimethylhex-3-ene
CID 160891186
1-deuterio-2,5-dimethylhexane
CID 175772271

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5,6-bis(3-methylbutyl)decane?
The IUPAC name of 2,9-dimethyl-5,6-bis(3-methylbutyl)decane (CID 139994880) is 2,9-dimethyl-5,6-bis(3-methylbutyl)decane.
What is the SMILES notation for 2,9-dimethyl-5,6-bis(3-methylbutyl)decane?
The canonical SMILES for 2,9-dimethyl-5,6-bis(3-methylbutyl)decane is CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C.
What is the InChIKey of 2,9-dimethyl-5,6-bis(3-methylbutyl)decane?
The InChIKey is BYIWEZIVKROSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-17(2)9-13-21(14-10-18(3)4)22(15-11-19(5)6)16-12-20(7)8/h17-22H,9-16H2,1-8H3.
What are the key properties of 2,9-dimethyl-5,6-bis(3-methylbutyl)decane?
2,9-dimethyl-5,6-bis(3-methylbutyl)decane has a molecular weight of 310.61 g/mol, XLogP of 7.96, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5,6-bis(3-methylbutyl)decane is sourced from PubChem (CID 139994880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).