ethane;3,6,7,10-tetramethyldodecane

C18H40 — CID 143901344

IUPACethane;3,6,7,10-tetramethyldodecane
SMILESCC.CCC(C)CCC(C)C(C)CCC(C)CC
InChIInChI=1S/C16H34.C2H6/c1-7-13(3)9-11-15(5)16(6)12-10-14(4)8-2;1-2/h13-16H,7-12H2,1-6H3;1-2H3
InChIKeyFXVAFEVFYYHCRQ-UHFFFAOYSA-N
MW256.52 g/mol
LogP6.94
Rot. Bonds9

About ethane;3,6,7,10-tetramethyldodecane

ethane;3,6,7,10-tetramethyldodecane (PubChem CID 143901344) has the molecular formula C18H40 and a molecular weight of 256.52 g/mol. Its IUPAC name is ethane;3,6,7,10-tetramethyldodecane.

Molecular Properties

Compound Nameethane;3,6,7,10-tetramethyldodecane
PubChem CID143901344
Molecular FormulaC18H40
Molecular Weight256.52 g/mol
Exact Mass256.31
IUPAC Nameethane;3,6,7,10-tetramethyldodecane
SMILESCC.CCC(C)CCC(C)C(C)CCC(C)CC
InChIInChI=1S/C16H34.C2H6/c1-7-13(3)9-11-15(5)16(6)12-10-14(4)8-2;1-2/h13-16H,7-12H2,1-6H3;1-2H3
InChIKeyFXVAFEVFYYHCRQ-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.52
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methoxy-3,6-dimethyloctane
CID 91203473
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
3,6,7,10-tetramethyldodecanoic acid
CID 142282769
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
7-ethyl-3,6-dimethyldecane
CID 57491785
1-amino-2,5-dimethylheptan-1-ol
CID 123488393
2,3,6,7,10-pentamethyldodec-1-ene;propane
CID 145235190
prop-1-ene;3,6,7-trimethylundecane
CID 145154511
ethane;3-methylpentane
CID 91147782
(3R,6R)-3,6-dimethylnonane
CID 170848352
2,5-dimethylheptane;propane
CID 145235091

Frequently Asked Questions

What is the IUPAC name of ethane;3,6,7,10-tetramethyldodecane?
The IUPAC name of ethane;3,6,7,10-tetramethyldodecane (CID 143901344) is ethane;3,6,7,10-tetramethyldodecane.
What is the SMILES notation for ethane;3,6,7,10-tetramethyldodecane?
The canonical SMILES for ethane;3,6,7,10-tetramethyldodecane is CC.CCC(C)CCC(C)C(C)CCC(C)CC.
What is the InChIKey of ethane;3,6,7,10-tetramethyldodecane?
The InChIKey is FXVAFEVFYYHCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C2H6/c1-7-13(3)9-11-15(5)16(6)12-10-14(4)8-2;1-2/h13-16H,7-12H2,1-6H3;1-2H3.
What are the key properties of ethane;3,6,7,10-tetramethyldodecane?
ethane;3,6,7,10-tetramethyldodecane has a molecular weight of 256.52 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,6,7,10-tetramethyldodecane is sourced from PubChem (CID 143901344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).