4,5,9-trimethyl-6,12-dipropylpentadecane

C24H50 — CID 123497738

IUPAC4,5,9-trimethyl-6,12-dipropylpentadecane
SMILESCCCC(CCC)CCC(C)CCC(CCC)C(C)C(C)CCC
InChIInChI=1S/C24H50/c1-8-12-21(6)22(7)24(15-11-4)19-17-20(5)16-18-23(13-9-2)14-10-3/h20-24H,8-19H2,1-7H3
InChIKeyKUHBAJZOJFWFFF-UHFFFAOYSA-N
MW338.66 g/mol
LogP8.89
Rot. Bonds16

About 4,5,9-trimethyl-6,12-dipropylpentadecane

4,5,9-trimethyl-6,12-dipropylpentadecane (PubChem CID 123497738) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 4,5,9-trimethyl-6,12-dipropylpentadecane.

Molecular Properties

Compound Name4,5,9-trimethyl-6,12-dipropylpentadecane
PubChem CID123497738
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name4,5,9-trimethyl-6,12-dipropylpentadecane
SMILESCCCC(CCC)CCC(C)CCC(CCC)C(C)C(C)CCC
InChIInChI=1S/C24H50/c1-8-12-21(6)22(7)24(15-11-4)19-17-20(5)16-18-23(13-9-2)14-10-3/h20-24H,8-19H2,1-7H3
InChIKeyKUHBAJZOJFWFFF-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethyl-2,6,7-trimethyldecane
CID 123648141
7-butyl-4-methylundecane
CID 59977721
6,7-dimethyl-5-propyldodecane
CID 123459990
4-ethyl-6-hexan-3-yl-10-methyltridecane
CID 91319415
24-docosyl-21-methylheptatetracontane
CID 173071241
10-methyl-6,15-dipropylicosane
CID 144641599
7-butan-2-yl-4-propylundecane
CID 123685614
2,8-dimethyl-5-propylnonane
CID 57014492
9-methyl-5-propyltetradecane
CID 59977731
4,8-diethyl-5-methylundecane
CID 59928875
4-methylheptane
CID 91413347
4-methylheptane
CID 11512

Frequently Asked Questions

What is the IUPAC name of 4,5,9-trimethyl-6,12-dipropylpentadecane?
The IUPAC name of 4,5,9-trimethyl-6,12-dipropylpentadecane (CID 123497738) is 4,5,9-trimethyl-6,12-dipropylpentadecane.
What is the SMILES notation for 4,5,9-trimethyl-6,12-dipropylpentadecane?
The canonical SMILES for 4,5,9-trimethyl-6,12-dipropylpentadecane is CCCC(CCC)CCC(C)CCC(CCC)C(C)C(C)CCC.
What is the InChIKey of 4,5,9-trimethyl-6,12-dipropylpentadecane?
The InChIKey is KUHBAJZOJFWFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-8-12-21(6)22(7)24(15-11-4)19-17-20(5)16-18-23(13-9-2)14-10-3/h20-24H,8-19H2,1-7H3.
What are the key properties of 4,5,9-trimethyl-6,12-dipropylpentadecane?
4,5,9-trimethyl-6,12-dipropylpentadecane has a molecular weight of 338.66 g/mol, XLogP of 8.89, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,9-trimethyl-6,12-dipropylpentadecane is sourced from PubChem (CID 123497738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).