4-propan-2-yl-5-propylnonane

C15H32 — CID 54297700

IUPAC4-propan-2-yl-5-propylnonane
SMILESCCCCC(CCC)C(CCC)C(C)C
InChIInChI=1S/C15H32/c1-6-9-12-14(10-7-2)15(11-8-3)13(4)5/h13-15H,6-12H2,1-5H3
InChIKeyHSHDEXCZUNRIQP-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds9

About 4-propan-2-yl-5-propylnonane

4-propan-2-yl-5-propylnonane (PubChem CID 54297700) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 4-propan-2-yl-5-propylnonane.

Molecular Properties

Compound Name4-propan-2-yl-5-propylnonane
PubChem CID54297700
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name4-propan-2-yl-5-propylnonane
SMILESCCCCC(CCC)C(CCC)C(C)C
InChIInChI=1S/C15H32/c1-6-9-12-14(10-7-2)15(11-8-3)13(4)5/h13-15H,6-12H2,1-5H3
InChIKeyHSHDEXCZUNRIQP-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-butyl-2-methyl-6-propan-2-yltridecane
CID 123825241
(7R,8S)-8-hexyl-7-[(4R)-octan-4-yl]heptadecane
CID 166447772
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
2,2,3-trimethyl-4-propyloctane
CID 57492614
4,5-diethylnonane
CID 21188862
4-propan-2-yldecane
CID 15038736
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
ethane;2-methylhexane;propane
CID 144516512
6,7-dipropyldodecane
CID 529940
4-methanidyl-5-propan-2-yloctane
CID 90920919
4,5-dipropylnonane;5-propylnonane
CID 157465342
2-butyl-3-propylbutane-1,4-diol
CID 87266771

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-propylnonane?
The IUPAC name of 4-propan-2-yl-5-propylnonane (CID 54297700) is 4-propan-2-yl-5-propylnonane.
What is the SMILES notation for 4-propan-2-yl-5-propylnonane?
The canonical SMILES for 4-propan-2-yl-5-propylnonane is CCCCC(CCC)C(CCC)C(C)C.
What is the InChIKey of 4-propan-2-yl-5-propylnonane?
The InChIKey is HSHDEXCZUNRIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-9-12-14(10-7-2)15(11-8-3)13(4)5/h13-15H,6-12H2,1-5H3.
What are the key properties of 4-propan-2-yl-5-propylnonane?
4-propan-2-yl-5-propylnonane has a molecular weight of 212.42 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-propylnonane is sourced from PubChem (CID 54297700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).