4,5-dipropylnonane;5-propylnonane

C27H58 — CID 157465342

IUPAC4,5-dipropylnonane;5-propylnonane
SMILESCCCCC(CCC)C(CCC)CCC.CCCCC(CCC)CCCC
InChIInChI=1S/C15H32.C12H26/c1-5-9-13-15(12-8-4)14(10-6-2)11-7-3;1-4-7-10-12(9-6-3)11-8-5-2/h14-15H,5-13H2,1-4H3;12H,4-11H2,1-3H3
InChIKeyBUKGPNWWATZHOC-UHFFFAOYSA-N
MW382.76 g/mol
LogP10.59
Rot. Bonds18

About 4,5-dipropylnonane;5-propylnonane

4,5-dipropylnonane;5-propylnonane (PubChem CID 157465342) has the molecular formula C27H58 and a molecular weight of 382.76 g/mol. Its IUPAC name is 4,5-dipropylnonane;5-propylnonane.

Molecular Properties

Compound Name4,5-dipropylnonane;5-propylnonane
PubChem CID157465342
Molecular FormulaC27H58
Molecular Weight382.76 g/mol
Exact Mass382.45
IUPAC Name4,5-dipropylnonane;5-propylnonane
SMILESCCCCC(CCC)C(CCC)CCC.CCCCC(CCC)CCCC
InChIInChI=1S/C15H32.C12H26/c1-5-9-13-15(12-8-4)14(10-6-2)11-7-3;1-4-7-10-12(9-6-3)11-8-5-2/h14-15H,5-13H2,1-4H3;12H,4-11H2,1-3H3
InChIKeyBUKGPNWWATZHOC-UHFFFAOYSA-N
XLogP10.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.76
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
5-ethylnonane;5-propylnonane
CID 157441807
5-propylpentacosane
CID 91493421
6,7-dipropyldodecane
CID 529940
6-propyltetracosane
CID 91039357
4,5-dipropyltetradecane
CID 21490606
4,5-diethylnonane
CID 21188862
8-hexyl-7-propyltriacontane
CID 21490607
16-propylhexatriacontane
CID 91313942
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364

Frequently Asked Questions

What is the IUPAC name of 4,5-dipropylnonane;5-propylnonane?
The IUPAC name of 4,5-dipropylnonane;5-propylnonane (CID 157465342) is 4,5-dipropylnonane;5-propylnonane.
What is the SMILES notation for 4,5-dipropylnonane;5-propylnonane?
The canonical SMILES for 4,5-dipropylnonane;5-propylnonane is CCCCC(CCC)C(CCC)CCC.CCCCC(CCC)CCCC.
What is the InChIKey of 4,5-dipropylnonane;5-propylnonane?
The InChIKey is BUKGPNWWATZHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32.C12H26/c1-5-9-13-15(12-8-4)14(10-6-2)11-7-3;1-4-7-10-12(9-6-3)11-8-5-2/h14-15H,5-13H2,1-4H3;12H,4-11H2,1-3H3.
What are the key properties of 4,5-dipropylnonane;5-propylnonane?
4,5-dipropylnonane;5-propylnonane has a molecular weight of 382.76 g/mol, XLogP of 10.59, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipropylnonane;5-propylnonane is sourced from PubChem (CID 157465342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).