2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane

C17H32 — CID 91053391

IUPAC2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane
SMILESCCC1CC2(C1)C(C)CC(C(CC)CC)C2C
InChIInChI=1S/C17H32/c1-6-14-10-17(11-14)12(4)9-16(13(17)5)15(7-2)8-3/h12-16H,6-11H2,1-5H3
InChIKeyNJCBFPVJDOYCIY-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.52
Rot. Bonds4

About 2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane

2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane (PubChem CID 91053391) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane.

Molecular Properties

Compound Name2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane
PubChem CID91053391
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane
SMILESCCC1CC2(C1)C(C)CC(C(CC)CC)C2C
InChIInChI=1S/C17H32/c1-6-14-10-17(11-14)12(4)9-16(13(17)5)15(7-2)8-3/h12-16H,6-11H2,1-5H3
InChIKeyNJCBFPVJDOYCIY-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane?
The IUPAC name of 2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane (CID 91053391) is 2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane.
What is the SMILES notation for 2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane?
The canonical SMILES for 2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane is CCC1CC2(C1)C(C)CC(C(CC)CC)C2C.
What is the InChIKey of 2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane?
The InChIKey is NJCBFPVJDOYCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-6-14-10-17(11-14)12(4)9-16(13(17)5)15(7-2)8-3/h12-16H,6-11H2,1-5H3.
What are the key properties of 2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane?
2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane has a molecular weight of 236.44 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane is sourced from PubChem (CID 91053391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).