3,6-dimethyl-8-propan-2-yl-9-propyldodecane

C20H42 — CID 142338262

IUPAC3,6-dimethyl-8-propan-2-yl-9-propyldodecane
SMILESCCCC(CCC)C(CC(C)CCC(C)CC)C(C)C
InChIInChI=1S/C20H42/c1-8-11-19(12-9-2)20(16(4)5)15-18(7)14-13-17(6)10-3/h16-20H,8-15H2,1-7H3
InChIKeyQKBHMFXCRVUERK-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.33
Rot. Bonds12

About 3,6-dimethyl-8-propan-2-yl-9-propyldodecane

3,6-dimethyl-8-propan-2-yl-9-propyldodecane (PubChem CID 142338262) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 3,6-dimethyl-8-propan-2-yl-9-propyldodecane.

Molecular Properties

Compound Name3,6-dimethyl-8-propan-2-yl-9-propyldodecane
PubChem CID142338262
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name3,6-dimethyl-8-propan-2-yl-9-propyldodecane
SMILESCCCC(CCC)C(CC(C)CCC(C)CC)C(C)C
InChIInChI=1S/C20H42/c1-8-11-19(12-9-2)20(16(4)5)15-18(7)14-13-17(6)10-3/h16-20H,8-15H2,1-7H3
InChIKeyQKBHMFXCRVUERK-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
3,5,7,9-tetramethyldodecane
CID 91047062
N,4,7-trimethyl-2-propylnonan-1-imine
CID 163631549
4-propan-2-yl-5-propylnonane
CID 54297700
3,9,11-trimethyltetradecane
CID 158626683
3,6-dimethyl-5-propan-2-yldecane
CID 123254389
4-ethyl-5,7-dimethyl-8-propan-2-ylundecane
CID 91173355
3,5,7,10,12-pentamethyltetradecane
CID 59582352
2,5-dimethylheptane;propane
CID 145235091

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-8-propan-2-yl-9-propyldodecane?
The IUPAC name of 3,6-dimethyl-8-propan-2-yl-9-propyldodecane (CID 142338262) is 3,6-dimethyl-8-propan-2-yl-9-propyldodecane.
What is the SMILES notation for 3,6-dimethyl-8-propan-2-yl-9-propyldodecane?
The canonical SMILES for 3,6-dimethyl-8-propan-2-yl-9-propyldodecane is CCCC(CCC)C(CC(C)CCC(C)CC)C(C)C.
What is the InChIKey of 3,6-dimethyl-8-propan-2-yl-9-propyldodecane?
The InChIKey is QKBHMFXCRVUERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-8-11-19(12-9-2)20(16(4)5)15-18(7)14-13-17(6)10-3/h16-20H,8-15H2,1-7H3.
What are the key properties of 3,6-dimethyl-8-propan-2-yl-9-propyldodecane?
3,6-dimethyl-8-propan-2-yl-9-propyldodecane has a molecular weight of 282.56 g/mol, XLogP of 7.33, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-8-propan-2-yl-9-propyldodecane is sourced from PubChem (CID 142338262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).