8-propan-2-ylpentadecane

C18H38 — CID 153475308

IUPAC8-propan-2-ylpentadecane
SMILESCCCCCCCC(CCCCCCC)C(C)C
InChIInChI=1S/C18H38/c1-5-7-9-11-13-15-18(17(3)4)16-14-12-10-8-6-2/h17-18H,5-16H2,1-4H3
InChIKeyNPIXKVWTDYHIMH-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.98
Rot. Bonds13

About 8-propan-2-ylpentadecane

8-propan-2-ylpentadecane (PubChem CID 153475308) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 8-propan-2-ylpentadecane.

Molecular Properties

Compound Name8-propan-2-ylpentadecane
PubChem CID153475308
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name8-propan-2-ylpentadecane
SMILESCCCCCCCC(CCCCCCC)C(C)C
InChIInChI=1S/C18H38/c1-5-7-9-11-13-15-18(17(3)4)16-14-12-10-8-6-2/h17-18H,5-16H2,1-4H3
InChIKeyNPIXKVWTDYHIMH-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 123704479
4-propan-2-yldecane
CID 15038736
2-propan-2-yloctan-1-amine
CID 62504332
9,10-dioctylhexacosane
CID 21470284
7,8-dihexylicosane
CID 21490611
(E)-5-propan-2-yltetracos-11-ene
CID 173194520
8-propan-2-yl-11-propyloctadecane
CID 123538924
3-methyl-6-propan-2-ylundecane
CID 123788850
6-propan-2-ylicos-9-yne
CID 22223793
10-propan-2-ylnonadecanal
CID 167408636
8,9-dibutylhexadecane
CID 530025
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylpentadecane?
The IUPAC name of 8-propan-2-ylpentadecane (CID 153475308) is 8-propan-2-ylpentadecane.
What is the SMILES notation for 8-propan-2-ylpentadecane?
The canonical SMILES for 8-propan-2-ylpentadecane is CCCCCCCC(CCCCCCC)C(C)C.
What is the InChIKey of 8-propan-2-ylpentadecane?
The InChIKey is NPIXKVWTDYHIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-5-7-9-11-13-15-18(17(3)4)16-14-12-10-8-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 8-propan-2-ylpentadecane?
8-propan-2-ylpentadecane has a molecular weight of 254.50 g/mol, XLogP of 6.98, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylpentadecane is sourced from PubChem (CID 153475308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).