3,4,6,7-tetramethyl-5-propylnonane

C16H34 — CID 91018101

IUPAC3,4,6,7-tetramethyl-5-propylnonane
SMILESCCCC(C(C)C(C)CC)C(C)C(C)CC
InChIInChI=1S/C16H34/c1-8-11-16(14(6)12(4)9-2)15(7)13(5)10-3/h12-16H,8-11H2,1-7H3
InChIKeyYFANPFASZFDHOV-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds8

About 3,4,6,7-tetramethyl-5-propylnonane

3,4,6,7-tetramethyl-5-propylnonane (PubChem CID 91018101) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 3,4,6,7-tetramethyl-5-propylnonane.

Molecular Properties

Compound Name3,4,6,7-tetramethyl-5-propylnonane
PubChem CID91018101
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name3,4,6,7-tetramethyl-5-propylnonane
SMILESCCCC(C(C)C(C)CC)C(C)C(C)CC
InChIInChI=1S/C16H34/c1-8-11-16(14(6)12(4)9-2)15(7)13(5)10-3/h12-16H,8-11H2,1-7H3
InChIKeyYFANPFASZFDHOV-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
(3R)-3,4-dimethylheptane
CID 59819300
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
2,3,6,7-tetramethyl-5-propylnonane
CID 91235316
3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane
CID 59966829
3,5-diethyl-4,6,7-trimethylnonane
CID 123912873
(4S)-2,3,4-trimethylhexane
CID 58359072
4,5,7-triethyl-3-methyl-6-propyldecane
CID 91308748
bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
CID 160533172
5-ethyl-2,3,4,6-tetramethylnonane
CID 90811278
2,3-dimethylpentane;hexan-3-ol
CID 143653257

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetramethyl-5-propylnonane?
The IUPAC name of 3,4,6,7-tetramethyl-5-propylnonane (CID 91018101) is 3,4,6,7-tetramethyl-5-propylnonane.
What is the SMILES notation for 3,4,6,7-tetramethyl-5-propylnonane?
The canonical SMILES for 3,4,6,7-tetramethyl-5-propylnonane is CCCC(C(C)C(C)CC)C(C)C(C)CC.
What is the InChIKey of 3,4,6,7-tetramethyl-5-propylnonane?
The InChIKey is YFANPFASZFDHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-8-11-16(14(6)12(4)9-2)15(7)13(5)10-3/h12-16H,8-11H2,1-7H3.
What are the key properties of 3,4,6,7-tetramethyl-5-propylnonane?
3,4,6,7-tetramethyl-5-propylnonane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetramethyl-5-propylnonane is sourced from PubChem (CID 91018101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).