10,10-di(propan-2-yl)octacosane

C34H70 — CID 152510996

IUPAC10,10-di(propan-2-yl)octacosane
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)(C(C)C)C(C)C
InChIInChI=1S/C34H70/c1-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-34(32(3)4,33(5)6)30-28-26-24-14-12-10-8-2/h32-33H,7-31H2,1-6H3
InChIKeyYFMNDLLFPIEBLU-UHFFFAOYSA-N
MW478.93 g/mol
LogP13.08
Rot. Bonds27

About 10,10-di(propan-2-yl)octacosane

10,10-di(propan-2-yl)octacosane (PubChem CID 152510996) has the molecular formula C34H70 and a molecular weight of 478.93 g/mol. Its IUPAC name is 10,10-di(propan-2-yl)octacosane.

Molecular Properties

Compound Name10,10-di(propan-2-yl)octacosane
PubChem CID152510996
Molecular FormulaC34H70
Molecular Weight478.93 g/mol
Exact Mass478.55
IUPAC Name10,10-di(propan-2-yl)octacosane
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)(C(C)C)C(C)C
InChIInChI=1S/C34H70/c1-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-34(32(3)4,33(5)6)30-28-26-24-14-12-10-8-2/h32-33H,7-31H2,1-6H3
InChIKeyYFMNDLLFPIEBLU-UHFFFAOYSA-N
XLogP13.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.93
LogP ≤ 513.08
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 21414890
2,3,3-trimethyloctadecane
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2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
3,3-difluoro-2-methylnonane
CID 121443889
(2-methyl-3-propan-2-ylnonan-3-yl)phosphane
CID 118892700
3,3-diethyl-2-methyldodecane
CID 151072312
3,3-difluoro-2-methylheptadecane
CID 22951834
6-methyl-6-propan-2-ylundecane
CID 87930599
3,4-dimethyl-5-propan-2-yl-5-propylnonane
CID 173277226
3-ethyl-2,3-dimethyldecane
CID 57491701
3-ethyl-2,3-dimethylnonane
CID 57490996
2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane
CID 122422564

Frequently Asked Questions

What is the IUPAC name of 10,10-di(propan-2-yl)octacosane?
The IUPAC name of 10,10-di(propan-2-yl)octacosane (CID 152510996) is 10,10-di(propan-2-yl)octacosane.
What is the SMILES notation for 10,10-di(propan-2-yl)octacosane?
The canonical SMILES for 10,10-di(propan-2-yl)octacosane is CCCCCCCCCCCCCCCCCCC(CCCCCCCCC)(C(C)C)C(C)C.
What is the InChIKey of 10,10-di(propan-2-yl)octacosane?
The InChIKey is YFMNDLLFPIEBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70/c1-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-34(32(3)4,33(5)6)30-28-26-24-14-12-10-8-2/h32-33H,7-31H2,1-6H3.
What are the key properties of 10,10-di(propan-2-yl)octacosane?
10,10-di(propan-2-yl)octacosane has a molecular weight of 478.93 g/mol, XLogP of 13.08, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-di(propan-2-yl)octacosane is sourced from PubChem (CID 152510996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).