1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane

C25H48 — CID 123263555

IUPAC1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane
SMILESCCCC(C)C(CC)CC(C)C1(CCC)C(CC)C12C(C)C2(C)CC
InChIInChI=1S/C25H48/c1-10-15-18(6)21(12-3)17-19(7)24(16-11-2)22(13-4)25(24)20(8)23(25,9)14-5/h18-22H,10-17H2,1-9H3
InChIKeyQHSLKBVSVBHBPV-UHFFFAOYSA-N
MW348.66 g/mol
LogP8.35
Rot. Bonds11

About 1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane

1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane (PubChem CID 123263555) has the molecular formula C25H48 and a molecular weight of 348.66 g/mol. Its IUPAC name is 1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane.

Molecular Properties

Compound Name1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane
PubChem CID123263555
Molecular FormulaC25H48
Molecular Weight348.66 g/mol
Exact Mass348.38
IUPAC Name1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane
SMILESCCCC(C)C(CC)CC(C)C1(CCC)C(CC)C12C(C)C2(C)CC
InChIInChI=1S/C25H48/c1-10-15-18(6)21(12-3)17-19(7)24(16-11-2)22(13-4)25(24)20(8)23(25,9)14-5/h18-22H,10-17H2,1-9H3
InChIKeyQHSLKBVSVBHBPV-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane?
The IUPAC name of 1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane (CID 123263555) is 1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane.
What is the SMILES notation for 1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane?
The canonical SMILES for 1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane is CCCC(C)C(CC)CC(C)C1(CCC)C(CC)C12C(C)C2(C)CC.
What is the InChIKey of 1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane?
The InChIKey is QHSLKBVSVBHBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48/c1-10-15-18(6)21(12-3)17-19(7)24(16-11-2)22(13-4)25(24)20(8)23(25,9)14-5/h18-22H,10-17H2,1-9H3.
What are the key properties of 1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane?
1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane has a molecular weight of 348.66 g/mol, XLogP of 8.35, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-2-(4-ethyl-5-methyloctan-2-yl)-4,5-dimethyl-2-propylspiro[2.2]pentane is sourced from PubChem (CID 123263555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).