2,3,4,7-tetramethyl-5-propyldecane

C17H36 — CID 91020847

IUPAC2,3,4,7-tetramethyl-5-propyldecane
SMILESCCCC(C)CC(CCC)C(C)C(C)C(C)C
InChIInChI=1S/C17H36/c1-8-10-14(5)12-17(11-9-2)16(7)15(6)13(3)4/h13-17H,8-12H2,1-7H3
InChIKeySZXRHZVTQFASFQ-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.16
Rot. Bonds9

About 2,3,4,7-tetramethyl-5-propyldecane

2,3,4,7-tetramethyl-5-propyldecane (PubChem CID 91020847) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 2,3,4,7-tetramethyl-5-propyldecane.

Molecular Properties

Compound Name2,3,4,7-tetramethyl-5-propyldecane
PubChem CID91020847
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name2,3,4,7-tetramethyl-5-propyldecane
SMILESCCCC(C)CC(CCC)C(C)C(C)C(C)C
InChIInChI=1S/C17H36/c1-8-10-14(5)12-17(11-9-2)16(7)15(6)13(3)4/h13-17H,8-12H2,1-7H3
InChIKeySZXRHZVTQFASFQ-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-ethyl-2,3,6-trimethylnonan-4-amine
CID 115845744
4-ethyl-2,3,5,7-tetramethyldecane
CID 123162737
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
2,3,6,7-tetramethyl-5-propylnonane
CID 91235316
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine
CID 170849412
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
1,1,1-trifluoro-2,5-dimethyl-7-propan-2-yldecane
CID 166897175
5-hexan-3-yl-2,3,4,6,8-pentamethylnonane
CID 123283653
4,6-diethyl-2,3,9-trimethyldodecane
CID 123599024
5-ethyl-2,3,4-trimethylheptane
CID 53428868

Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetramethyl-5-propyldecane?
The IUPAC name of 2,3,4,7-tetramethyl-5-propyldecane (CID 91020847) is 2,3,4,7-tetramethyl-5-propyldecane.
What is the SMILES notation for 2,3,4,7-tetramethyl-5-propyldecane?
The canonical SMILES for 2,3,4,7-tetramethyl-5-propyldecane is CCCC(C)CC(CCC)C(C)C(C)C(C)C.
What is the InChIKey of 2,3,4,7-tetramethyl-5-propyldecane?
The InChIKey is SZXRHZVTQFASFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-8-10-14(5)12-17(11-9-2)16(7)15(6)13(3)4/h13-17H,8-12H2,1-7H3.
What are the key properties of 2,3,4,7-tetramethyl-5-propyldecane?
2,3,4,7-tetramethyl-5-propyldecane has a molecular weight of 240.47 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetramethyl-5-propyldecane is sourced from PubChem (CID 91020847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).