(7S)-5,7-dimethyl-5-propylundecane

C16H34 — CID 175363506

IUPAC(7S)-5,7-dimethyl-5-propylundecane
SMILESCCCC[C@H](C)CC(C)(CCC)CCCC
InChIInChI=1S/C16H34/c1-6-9-11-15(4)14-16(5,12-8-3)13-10-7-2/h15H,6-14H2,1-5H3/t15-,16?/m0/s1
InChIKeyZJYGEFVMRBCDLS-VYRBHSGPSA-N
MW226.45 g/mol
LogP6.20
Rot. Bonds10

About (7S)-5,7-dimethyl-5-propylundecane

(7S)-5,7-dimethyl-5-propylundecane (PubChem CID 175363506) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is (7S)-5,7-dimethyl-5-propylundecane.

Molecular Properties

Compound Name(7S)-5,7-dimethyl-5-propylundecane
PubChem CID175363506
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name(7S)-5,7-dimethyl-5-propylundecane
SMILESCCCC[C@H](C)CC(C)(CCC)CCCC
InChIInChI=1S/C16H34/c1-6-9-11-15(4)14-16(5,12-8-3)13-10-7-2/h15H,6-14H2,1-5H3/t15-,16?/m0/s1
InChIKeyZJYGEFVMRBCDLS-VYRBHSGPSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethyl-4-propyloctane
CID 57491235
5,5-dimethylnonane;5-methylnonane
CID 158755954
hexane;2,2,4-trimethyloctane
CID 174278610
3,3,5-trimethylnonane
CID 53424862
(4R,6S)-2,2,4,6-tetramethyl-4-propylnonane
CID 58193630
2,11-dimethyl-11-(2-methylbutyl)octadecane
CID 90943555
4,4,6,12-tetramethyloctadecane
CID 123154666
2,4-dibutyl-4-methyloctan-1-ol
CID 141037417
3-methylheptane-1,1,1-triol
CID 141376698
6,6,8-trimethyltridecane
CID 123736183
4-ethyl-4-methyloctane;propane
CID 176660925
(3S)-5-ethyl-3,5-dimethyloctane
CID 143713459

Frequently Asked Questions

What is the IUPAC name of (7S)-5,7-dimethyl-5-propylundecane?
The IUPAC name of (7S)-5,7-dimethyl-5-propylundecane (CID 175363506) is (7S)-5,7-dimethyl-5-propylundecane.
What is the SMILES notation for (7S)-5,7-dimethyl-5-propylundecane?
The canonical SMILES for (7S)-5,7-dimethyl-5-propylundecane is CCCC[C@H](C)CC(C)(CCC)CCCC.
What is the InChIKey of (7S)-5,7-dimethyl-5-propylundecane?
The InChIKey is ZJYGEFVMRBCDLS-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H34/c1-6-9-11-15(4)14-16(5,12-8-3)13-10-7-2/h15H,6-14H2,1-5H3/t15-,16?/m0/s1.
What are the key properties of (7S)-5,7-dimethyl-5-propylundecane?
(7S)-5,7-dimethyl-5-propylundecane has a molecular weight of 226.45 g/mol, XLogP of 6.20, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5,7-dimethyl-5-propylundecane is sourced from PubChem (CID 175363506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).