6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene

C21H42 — CID 141158605

IUPAC6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene
SMILESCCCCC(=C(C(C)C)C(CC)(CC)CCC)C(C)CC
InChIInChI=1S/C21H42/c1-9-14-15-19(18(8)11-3)20(17(6)7)21(12-4,13-5)16-10-2/h17-18H,9-16H2,1-8H3
InChIKeyKHIRDJAEMJGPFN-UHFFFAOYSA-N
MW294.57 g/mol
LogP7.78
Rot. Bonds11

About 6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene

6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene (PubChem CID 141158605) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is 6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene.

Molecular Properties

Compound Name6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene
PubChem CID141158605
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene
SMILESCCCCC(=C(C(C)C)C(CC)(CC)CCC)C(C)CC
InChIInChI=1S/C21H42/c1-9-14-15-19(18(8)11-3)20(17(6)7)21(12-4,13-5)16-10-2/h17-18H,9-16H2,1-8H3
InChIKeyKHIRDJAEMJGPFN-UHFFFAOYSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethylidene-3-methyloctane
CID 90798217
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CID 13379790
2,2-dimethylbutane;2-methylbutane;pentane
CID 158103656
2-methyl-3,4-dimethylideneoctane
CID 134835282
5-butan-2-ylidene-4-methylnonane
CID 123663475
N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine
CID 155617632
3-methyl-3-propyloctan-2-ol
CID 20501793
2-methyl-3-propan-2-yloctadec-2-ene
CID 174104969
4-butan-2-yl-3-methyl-4-propylnonane
CID 123540962
3,3-diethylhex-1-en-2-ylsilane
CID 175192453
3,7,7-trimethyloctan-4-one
CID 63717585
2-chlorohenicosane-3,3-diol
CID 141136567

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene?
The IUPAC name of 6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene (CID 141158605) is 6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene.
What is the SMILES notation for 6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene?
The canonical SMILES for 6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene is CCCCC(=C(C(C)C)C(CC)(CC)CCC)C(C)CC.
What is the InChIKey of 6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene?
The InChIKey is KHIRDJAEMJGPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42/c1-9-14-15-19(18(8)11-3)20(17(6)7)21(12-4,13-5)16-10-2/h17-18H,9-16H2,1-8H3.
What are the key properties of 6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene?
6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene has a molecular weight of 294.57 g/mol, XLogP of 7.78, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-4,4-diethyl-5-propan-2-yldec-5-ene is sourced from PubChem (CID 141158605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).