3,4,10-trimethyl-6-propan-2-ylpentadecane

C21H44 — CID 91517020

IUPAC3,4,10-trimethyl-6-propan-2-ylpentadecane
SMILESCCCCCC(C)CCCC(CC(C)C(C)CC)C(C)C
InChIInChI=1S/C21H44/c1-8-10-11-13-18(5)14-12-15-21(17(3)4)16-20(7)19(6)9-2/h17-21H,8-16H2,1-7H3
InChIKeyMQNHNVYBJURAQQ-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.72
Rot. Bonds13

About 3,4,10-trimethyl-6-propan-2-ylpentadecane

3,4,10-trimethyl-6-propan-2-ylpentadecane (PubChem CID 91517020) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 3,4,10-trimethyl-6-propan-2-ylpentadecane.

Molecular Properties

Compound Name3,4,10-trimethyl-6-propan-2-ylpentadecane
PubChem CID91517020
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name3,4,10-trimethyl-6-propan-2-ylpentadecane
SMILESCCCCCC(C)CCCC(CC(C)C(C)CC)C(C)C
InChIInChI=1S/C21H44/c1-8-10-11-13-18(5)14-12-15-21(17(3)4)16-20(7)19(6)9-2/h17-21H,8-16H2,1-7H3
InChIKeyMQNHNVYBJURAQQ-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.72
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

8-butan-2-yl-4-methyltetradecane
CID 123224994
3,4,7-trimethyldodecane
CID 123406738
5-butan-2-yl-3-methyldecane
CID 123136840
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
11,15-dimethylheptacosane
CID 6430046
10,14,18-trimethyldotriacontane
CID 86017574
10,14-dimethyltetratriacontane
CID 86017565
11,15-dimethyltritriacontane
CID 521778
7,11-dimethylpentatriacontane
CID 6430674
6,10-dimethyloctadecane
CID 86144179

Frequently Asked Questions

What is the IUPAC name of 3,4,10-trimethyl-6-propan-2-ylpentadecane?
The IUPAC name of 3,4,10-trimethyl-6-propan-2-ylpentadecane (CID 91517020) is 3,4,10-trimethyl-6-propan-2-ylpentadecane.
What is the SMILES notation for 3,4,10-trimethyl-6-propan-2-ylpentadecane?
The canonical SMILES for 3,4,10-trimethyl-6-propan-2-ylpentadecane is CCCCCC(C)CCCC(CC(C)C(C)CC)C(C)C.
What is the InChIKey of 3,4,10-trimethyl-6-propan-2-ylpentadecane?
The InChIKey is MQNHNVYBJURAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-8-10-11-13-18(5)14-12-15-21(17(3)4)16-20(7)19(6)9-2/h17-21H,8-16H2,1-7H3.
What are the key properties of 3,4,10-trimethyl-6-propan-2-ylpentadecane?
3,4,10-trimethyl-6-propan-2-ylpentadecane has a molecular weight of 296.58 g/mol, XLogP of 7.72, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,10-trimethyl-6-propan-2-ylpentadecane is sourced from PubChem (CID 91517020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).